NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438564 |
2k4t   |
16381 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k4t
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 601
_Distance_constraint_stats_list.Viol_count 1530
_Distance_constraint_stats_list.Viol_total 2214.910
_Distance_constraint_stats_list.Viol_max 1.084
_Distance_constraint_stats_list.Viol_rms 0.0475
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0724
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.538 0.138 7 0 "[ . 1 . 2]"
1 8 ALA 0.212 0.062 20 0 "[ . 1 . 2]"
1 9 ASP 0.241 0.064 7 0 "[ . 1 . 2]"
1 10 LEU 0.655 0.138 7 0 "[ . 1 . 2]"
1 25 GLY 0.187 0.063 17 0 "[ . 1 . 2]"
1 26 LEU 0.214 0.063 17 0 "[ . 1 . 2]"
1 27 ILE 0.430 0.082 15 0 "[ . 1 . 2]"
1 28 LYS 0.070 0.045 19 0 "[ . 1 . 2]"
1 29 LEU 0.027 0.027 15 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.004 0.004 7 0 "[ . 1 . 2]"
1 32 LYS 0.061 0.039 6 0 "[ . 1 . 2]"
1 33 THR 0.270 0.223 3 0 "[ . 1 . 2]"
1 34 LYS 0.155 0.081 17 0 "[ . 1 . 2]"
1 35 SER 1.451 0.245 17 0 "[ . 1 . 2]"
1 38 GLY 0.143 0.046 1 0 "[ . 1 . 2]"
1 39 LEU 1.385 0.245 17 0 "[ . 1 . 2]"
1 40 GLU 0.237 0.066 15 0 "[ . 1 . 2]"
1 41 PHE 0.248 0.223 3 0 "[ . 1 . 2]"
1 42 THR 0.366 0.074 15 0 "[ . 1 . 2]"
1 43 SER 0.033 0.022 3 0 "[ . 1 . 2]"
1 44 SER 0.146 0.088 15 0 "[ . 1 . 2]"
1 45 GLY 0.027 0.027 15 0 "[ . 1 . 2]"
1 46 SER 0.695 0.352 15 0 "[ . 1 . 2]"
1 47 ALA 0.030 0.012 20 0 "[ . 1 . 2]"
1 48 ASN 0.133 0.091 17 0 "[ . 1 . 2]"
1 53 LYS 0.203 0.091 17 0 "[ . 1 . 2]"
1 54 VAL 0.816 0.644 8 1 "[ . + 1 . 2]"
1 55 THR 0.594 0.352 15 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.100 0.088 15 0 "[ . 1 . 2]"
1 58 LEU 0.342 0.067 3 0 "[ . 1 . 2]"
1 59 GLU 0.271 0.074 15 0 "[ . 1 . 2]"
1 60 THR 0.025 0.011 1 0 "[ . 1 . 2]"
1 61 LYS 0.458 0.075 1 0 "[ . 1 . 2]"
1 62 TYR 0.085 0.026 19 0 "[ . 1 . 2]"
1 68 GLY 3.546 0.476 10 0 "[ . 1 . 2]"
1 69 LEU 6.734 0.536 10 2 "[ . + - . 2]"
1 70 THR 0.543 0.184 10 0 "[ . 1 . 2]"
1 71 PHE 0.543 0.184 10 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TRP 3.403 1.084 15 1 "[ . 1 + 2]"
1 76 ASN 1.673 0.915 15 1 "[ . 1 + 2]"
1 81 LEU 4.623 1.084 15 2 "[ . 1 + -2]"
1 85 ILE 1.847 0.463 20 0 "[ . 1 . 2]"
1 86 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 4.739 0.536 10 2 "[ . + - . 2]"
1 94 GLY 0.011 0.011 19 0 "[ . 1 . 2]"
1 95 LEU 0.011 0.011 19 0 "[ . 1 . 2]"
1 96 LYS 0.052 0.027 8 0 "[ . 1 . 2]"
1 97 LEU 1.077 0.331 20 0 "[ . 1 . 2]"
1 98 THR 0.919 0.331 20 0 "[ . 1 . 2]"
1 99 PHE 1.942 0.463 20 0 "[ . 1 . 2]"
1 100 ASP 0.105 0.042 5 0 "[ . 1 . 2]"
1 102 SER 0.369 0.369 6 0 "[ . 1 . 2]"
1 103 PHE 0.988 0.727 19 1 "[ . 1 . +2]"
1 104 SER 0.451 0.436 17 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LYS 0.443 0.436 17 0 "[ . 1 . 2]"
1 111 ASN 0.377 0.369 6 0 "[ . 1 . 2]"
1 113 LYS 0.103 0.036 18 0 "[ . 1 . 2]"
1 114 ILE 0.757 0.112 3 0 "[ . 1 . 2]"
1 115 LYS 0.253 0.112 20 0 "[ . 1 . 2]"
1 116 THR 0.232 0.060 16 0 "[ . 1 . 2]"
1 117 GLY 0.166 0.058 17 0 "[ . 1 . 2]"
1 118 TYR 0.071 0.071 20 0 "[ . 1 . 2]"
1 119 LYS 0.079 0.038 11 0 "[ . 1 . 2]"
1 120 ARG 0.976 0.527 16 1 "[ . 1 .+ 2]"
1 123 ILE 1.407 0.237 18 0 "[ . 1 . 2]"
1 124 ASN 0.359 0.134 4 0 "[ . 1 . 2]"
1 125 LEU 2.162 0.543 20 2 "[ . 1 .- +]"
1 126 GLY 0.322 0.126 16 0 "[ . 1 . 2]"
1 127 CYS 0.441 0.126 16 0 "[ . 1 . 2]"
1 128 ASP 0.258 0.065 18 0 "[ . 1 . 2]"
1 129 MET 0.402 0.112 3 0 "[ . 1 . 2]"
1 130 ASP 1.640 0.519 17 1 "[ . 1 . + 2]"
1 131 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ILE 1.780 0.486 17 0 "[ . 1 . 2]"
1 134 ALA 1.250 0.486 17 0 "[ . 1 . 2]"
1 135 GLY 0.238 0.076 4 0 "[ . 1 . 2]"
1 137 SER 1.555 0.519 17 1 "[ . 1 . + 2]"
1 138 ILE 2.572 0.410 9 0 "[ . 1 . 2]"
1 139 ARG 0.685 0.306 17 0 "[ . 1 . 2]"
1 140 GLY 0.308 0.080 16 0 "[ . 1 . 2]"
1 141 ALA 0.151 0.049 18 0 "[ . 1 . 2]"
1 142 LEU 1.978 0.543 20 1 "[ . 1 . +]"
1 143 VAL 0.944 0.316 20 0 "[ . 1 . 2]"
1 144 LEU 3.033 0.237 18 0 "[ . 1 . 2]"
1 145 GLY 1.065 0.164 7 0 "[ . 1 . 2]"
1 146 TYR 3.848 0.200 8 0 "[ . 1 . 2]"
1 147 GLU 7.971 0.650 4 5 "[ +.* 1* . * -]"
1 148 GLY 0.453 0.152 6 0 "[ . 1 . 2]"
1 149 TRP 6.602 0.650 4 5 "[ +.* 1* . * -]"
1 150 LEU 1.045 0.200 8 0 "[ . 1 . 2]"
1 151 ALA 1.446 0.234 20 0 "[ . 1 . 2]"
1 152 GLY 0.612 0.151 20 0 "[ . 1 . 2]"
1 153 TYR 0.176 0.071 11 0 "[ . 1 . 2]"
1 154 GLN 0.184 0.041 2 0 "[ . 1 . 2]"
1 155 MET 0.063 0.035 18 0 "[ . 1 . 2]"
1 156 ASN 1.254 0.161 16 0 "[ . 1 . 2]"
1 157 PHE 8.902 0.875 16 3 "[ . -1 * .+ 2]"
1 158 GLU 3.176 0.538 18 1 "[ . 1 . + 2]"
1 159 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 SER 0.849 0.383 4 0 "[ . 1 . 2]"
1 163 ARG 2.311 0.368 11 0 "[ . 1 . 2]"
1 164 VAL 10.891 0.875 16 4 "[ . *1 * .+ - 2]"
1 165 THR 1.442 0.405 9 0 "[ . 1 . 2]"
1 166 GLN 0.759 0.161 20 0 "[ . 1 . 2]"
1 167 SER 0.145 0.079 18 0 "[ . 1 . 2]"
1 168 ASN 0.208 0.079 18 0 "[ . 1 . 2]"
1 169 PHE 0.617 0.093 11 0 "[ . 1 . 2]"
1 170 ALA 0.044 0.032 14 0 "[ . 1 . 2]"
1 171 VAL 1.012 0.157 8 0 "[ . 1 . 2]"
1 172 GLY 0.453 0.077 14 0 "[ . 1 . 2]"
1 173 TYR 1.086 0.140 8 0 "[ . 1 . 2]"
1 174 LYS 0.707 0.185 14 0 "[ . 1 . 2]"
1 179 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 180 LEU 3.508 0.404 4 0 "[ . 1 . 2]"
1 181 HIS 0.768 0.404 4 0 "[ . 1 . 2]"
1 183 ASN 1.352 0.459 7 0 "[ . 1 . 2]"
1 184 VAL 6.415 0.610 11 1 "[ . 1+ . 2]"
1 185 ASN 1.407 0.209 17 0 "[ . 1 . 2]"
1 186 ASP 0.495 0.114 11 0 "[ . 1 . 2]"
1 187 GLY 2.712 0.610 11 1 "[ . 1+ . 2]"
1 188 THR 1.004 0.207 13 0 "[ . 1 . 2]"
1 189 GLU 0.676 0.134 11 0 "[ . 1 . 2]"
1 190 PHE 2.153 0.636 7 1 "[ . + 1 . 2]"
1 191 GLY 1.496 0.459 7 0 "[ . 1 . 2]"
1 192 GLY 0.668 0.095 7 0 "[ . 1 . 2]"
1 193 SER 0.634 0.156 17 0 "[ . 1 . 2]"
1 194 ILE 2.790 0.333 11 0 "[ . 1 . 2]"
1 195 TYR 0.775 0.180 4 0 "[ . 1 . 2]"
1 196 GLN 0.310 0.136 4 0 "[ . 1 . 2]"
1 197 LYS 0.065 0.058 8 0 "[ . 1 . 2]"
1 198 VAL 0.007 0.005 17 0 "[ . 1 . 2]"
1 204 THR 0.166 0.136 4 0 "[ . 1 . 2]"
1 205 ALA 0.070 0.025 5 0 "[ . 1 . 2]"
1 206 VAL 1.738 0.333 11 0 "[ . 1 . 2]"
1 207 ASN 0.334 0.249 17 0 "[ . 1 . 2]"
1 208 LEU 0.822 0.249 17 0 "[ . 1 . 2]"
1 209 ALA 1.300 0.804 11 1 "[ . 1+ . 2]"
1 210 TRP 1.525 0.636 7 1 "[ . + 1 . 2]"
1 211 THR 0.383 0.143 6 0 "[ . 1 . 2]"
1 212 ALA 1.302 0.408 7 0 "[ . 1 . 2]"
1 213 GLY 0.234 0.143 6 0 "[ . 1 . 2]"
1 218 ARG 1.028 0.804 11 1 "[ . 1+ . 2]"
1 219 PHE 0.099 0.055 5 0 "[ . 1 . 2]"
1 220 GLY 0.179 0.072 11 0 "[ . 1 . 2]"
1 221 ILE 1.054 0.164 4 0 "[ . 1 . 2]"
1 222 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 223 ALA 0.020 0.020 18 0 "[ . 1 . 2]"
1 224 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 225 TYR 0.042 0.036 16 0 "[ . 1 . 2]"
1 226 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 227 ILE 1.275 0.274 13 0 "[ . 1 . 2]"
1 228 ASP 1.134 0.268 14 0 "[ . 1 . 2]"
1 230 ASP 0.007 0.007 7 0 "[ . 1 . 2]"
1 231 ALA 1.073 0.274 13 0 "[ . 1 . 2]"
1 232 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 233 PHE 0.185 0.060 14 0 "[ . 1 . 2]"
1 234 SER 0.373 0.204 12 0 "[ . 1 . 2]"
1 235 ALA 0.020 0.020 18 0 "[ . 1 . 2]"
1 236 LYS 0.359 0.103 13 0 "[ . 1 . 2]"
1 237 VAL 3.265 0.321 9 0 "[ . 1 . 2]"
1 238 ASN 4.064 0.680 14 2 "[ . -1 +. 2]"
1 239 ASN 1.205 0.600 9 2 "[ . +1 -. 2]"
1 240 SER 0.052 0.052 14 0 "[ . 1 . 2]"
1 241 SER 2.812 0.600 9 2 "[ . +1 *. 2]"
1 242 LEU 6.828 0.680 14 1 "[ . 1 +. 2]"
1 243 ILE 5.597 0.416 12 0 "[ . 1 . 2]"
1 244 GLY 1.469 0.302 5 0 "[ . 1 . 2]"
1 245 LEU 0.206 0.112 14 0 "[ . 1 . 2]"
1 246 GLY 0.373 0.204 12 0 "[ . 1 . 2]"
1 247 TYR 0.882 0.357 16 0 "[ . 1 . 2]"
1 249 GLN 0.183 0.096 13 0 "[ . 1 . 2]"
1 254 GLY 0.265 0.115 20 0 "[ . 1 . 2]"
1 255 ILE 0.265 0.115 20 0 "[ . 1 . 2]"
1 257 LEU 0.183 0.096 13 0 "[ . 1 . 2]"
1 258 THR 0.100 0.041 8 0 "[ . 1 . 2]"
1 259 LEU 0.923 0.357 16 0 "[ . 1 . 2]"
1 260 SER 0.036 0.018 13 0 "[ . 1 . 2]"
1 261 ALA 0.206 0.112 14 0 "[ . 1 . 2]"
1 262 LEU 2.888 0.302 5 0 "[ . 1 . 2]"
1 263 LEU 2.768 0.288 13 0 "[ . 1 . 2]"
1 264 ASP 1.645 0.292 18 0 "[ . 1 . 2]"
1 265 GLY 1.193 0.218 7 0 "[ . 1 . 2]"
1 266 LYS 3.403 0.416 12 0 "[ . 1 . 2]"
1 267 ASN 0.456 0.108 19 0 "[ . 1 . 2]"
1 268 VAL 1.265 0.288 13 0 "[ . 1 . 2]"
1 269 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 271 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 272 GLY 0.291 0.109 19 0 "[ . 1 . 2]"
1 273 HIS 0.293 0.109 19 0 "[ . 1 . 2]"
1 274 LYS 1.069 0.255 13 0 "[ . 1 . 2]"
1 275 LEU 0.120 0.052 17 0 "[ . 1 . 2]"
1 276 GLY 0.059 0.041 17 0 "[ . 1 . 2]"
1 277 LEU 0.416 0.082 15 0 "[ . 1 . 2]"
1 278 GLY 0.101 0.034 12 0 "[ . 1 . 2]"
1 279 LEU 0.042 0.031 13 0 "[ . 1 . 2]"
1 282 GLN 0.011 0.011 6 0 "[ . 1 . 2]"
1 283 ALA 0.083 0.039 6 0 "[ . 1 . 2]"
1 284 LEU 0.011 0.011 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 96 LYS H 1 117 GLY H . . 3.630 3.326 2.782 3.657 0.027 8 0 "[ . 1 . 2]" 1
2 1 96 LYS H 1 97 LEU H . . 4.510 4.358 4.159 4.478 . 0 0 "[ . 1 . 2]" 1
3 1 226 GLN H 1 227 ILE H . . 4.520 4.271 3.939 4.431 . 0 0 "[ . 1 . 2]" 1
4 1 225 TYR H 1 226 GLN H . . 4.510 4.200 3.850 4.422 . 0 0 "[ . 1 . 2]" 1
5 1 190 PHE H 1 210 TRP HE1 . . 4.710 4.727 4.334 5.346 0.636 7 1 "[ . + 1 . 2]" 1
6 1 197 LYS H 1 198 VAL H . . 4.530 4.328 4.008 4.535 0.005 17 0 "[ . 1 . 2]" 1
7 1 227 ILE H 1 233 PHE H . . 4.680 4.247 3.064 4.740 0.060 14 0 "[ . 1 . 2]" 1
8 1 227 ILE H 1 228 ASP H . . 3.390 2.504 1.899 3.123 . 0 0 "[ . 1 . 2]" 1
9 1 128 ASP H 1 139 ARG H . . 4.130 3.800 3.423 4.195 0.065 18 0 "[ . 1 . 2]" 1
10 1 149 TRP H 1 149 TRP HE1 . . 4.370 4.249 4.024 4.465 0.095 12 0 "[ . 1 . 2]" 1
11 1 259 LEU H 1 278 GLY H . . 5.320 4.820 4.314 5.127 . 0 0 "[ . 1 . 2]" 1
12 1 224 LYS H 1 225 TYR H . . 4.560 4.320 4.147 4.500 . 0 0 "[ . 1 . 2]" 1
13 1 120 ARG H 1 125 LEU H . . 4.570 4.388 3.808 5.097 0.527 16 1 "[ . 1 .+ 2]" 1
14 1 70 THR H 1 71 PHE H . . 4.410 4.355 4.044 4.594 0.184 10 0 "[ . 1 . 2]" 1
15 1 226 GLN H 1 233 PHE H . . 5.270 4.823 4.279 5.112 . 0 0 "[ . 1 . 2]" 1
16 1 180 LEU H 1 181 HIS H . . 4.560 4.414 4.208 4.529 . 0 0 "[ . 1 . 2]" 1
17 1 138 ILE H 1 158 GLU H . . 5.170 4.789 3.074 5.186 0.016 4 0 "[ . 1 . 2]" 1
18 1 158 GLU H 1 164 VAL H . . 4.560 4.533 3.906 5.098 0.538 18 1 "[ . 1 . + 2]" 1
19 1 174 LYS H 1 180 LEU H . . 5.060 4.886 4.298 5.245 0.185 14 0 "[ . 1 . 2]" 1
20 1 158 GLU H 1 165 THR H . . 4.640 4.367 3.027 4.794 0.154 4 0 "[ . 1 . 2]" 1
21 1 158 GLU H 1 159 THR H . . 4.850 4.459 4.276 4.621 . 0 0 "[ . 1 . 2]" 1
22 1 157 PHE H 1 158 GLU H . . 4.510 4.318 3.919 4.514 0.004 6 0 "[ . 1 . 2]" 1
23 1 257 LEU H 1 258 THR H . . 4.540 4.322 4.104 4.488 . 0 0 "[ . 1 . 2]" 1
24 1 154 GLN H 1 168 ASN H . . 3.800 3.522 3.147 3.841 0.041 2 0 "[ . 1 . 2]" 1
25 1 195 TYR H 1 196 GLN H . . 4.410 4.283 4.147 4.389 . 0 0 "[ . 1 . 2]" 1
26 1 189 GLU H 1 212 ALA H . . 4.960 4.828 4.323 5.042 0.082 7 0 "[ . 1 . 2]" 1
27 1 243 ILE H 1 266 LYS H . . 5.240 4.688 3.909 5.656 0.416 12 0 "[ . 1 . 2]" 1
28 1 243 ILE H 1 244 GLY H . . 4.450 4.329 4.091 4.505 0.055 13 0 "[ . 1 . 2]" 1
29 1 28 LYS H 1 47 ALA H . . 5.020 4.838 4.555 5.020 . 13 0 "[ . 1 . 2]" 1
30 1 238 ASN H 1 243 ILE H . . 5.090 5.015 4.709 5.260 0.170 12 0 "[ . 1 . 2]" 1
31 1 249 GLN H 1 257 LEU H . . 3.800 3.519 2.852 3.896 0.096 13 0 "[ . 1 . 2]" 1
32 1 115 LYS H 1 116 THR H . . 4.380 4.291 4.086 4.405 0.025 7 0 "[ . 1 . 2]" 1
33 1 209 ALA H 1 218 ARG H . . 3.050 2.865 2.097 3.854 0.804 11 1 "[ . 1+ . 2]" 1
34 1 208 LEU H 1 209 ALA H . . 4.560 4.297 4.054 4.455 . 0 0 "[ . 1 . 2]" 1
35 1 243 ILE H 1 263 LEU H . . 4.080 3.828 3.389 4.121 0.041 10 0 "[ . 1 . 2]" 1
36 1 263 LEU H 1 274 LYS H . . 5.390 5.104 4.363 5.337 . 0 0 "[ . 1 . 2]" 1
37 1 262 LEU H 1 263 LEU H . . 4.540 4.327 4.102 4.454 . 0 0 "[ . 1 . 2]" 1
38 1 144 LEU H 1 152 GLY H . . 5.000 4.651 4.221 4.997 . 0 0 "[ . 1 . 2]" 1
39 1 144 LEU H 1 151 ALA H . . 3.560 3.270 2.734 3.596 0.036 4 0 "[ . 1 . 2]" 1
40 1 190 PHE H 1 191 GLY H . . 4.500 4.452 4.343 4.533 0.033 13 0 "[ . 1 . 2]" 1
41 1 218 ARG H 1 219 PHE H . . 4.430 4.182 3.663 4.485 0.055 5 0 "[ . 1 . 2]" 1
42 1 53 LYS H 1 54 VAL H . . 3.960 3.583 1.875 4.014 0.054 13 0 "[ . 1 . 2]" 1
43 1 143 VAL H 1 144 LEU H . . 4.840 4.338 4.158 4.496 . 0 0 "[ . 1 . 2]" 1
44 1 185 ASN H 1 186 ASP H . . 5.160 4.263 3.887 4.502 . 0 0 "[ . 1 . 2]" 1
45 1 186 ASP H 1 188 THR H . . 5.310 4.562 4.216 5.412 0.102 13 0 "[ . 1 . 2]" 1
46 1 130 ASP H 1 137 SER H . . 3.060 3.092 2.779 3.579 0.519 17 1 "[ . 1 . + 2]" 1
47 1 119 LYS H 1 120 ARG H . . 4.500 4.449 4.362 4.538 0.038 11 0 "[ . 1 . 2]" 1
48 1 129 MET H 1 130 ASP H . . 4.610 4.359 4.139 4.536 . 0 0 "[ . 1 . 2]" 1
49 1 109 LYS H 1 110 LYS H . . 4.500 4.300 3.677 4.465 . 0 0 "[ . 1 . 2]" 1
50 1 30 ASP H 1 279 LEU H . . 4.300 3.851 2.991 4.284 . 0 0 "[ . 1 . 2]" 1
51 1 263 LEU H 1 264 ASP H . . 4.390 4.187 3.818 4.399 0.009 12 0 "[ . 1 . 2]" 1
52 1 60 THR H 1 73 GLU H . . 4.030 3.167 2.596 3.912 . 0 0 "[ . 1 . 2]" 1
53 1 102 SER H 1 111 ASN H . . 3.970 3.341 2.703 4.339 0.369 6 0 "[ . 1 . 2]" 1
54 1 39 LEU H 1 40 GLU H . . 4.740 4.591 4.493 4.639 . 0 0 "[ . 1 . 2]" 1
55 1 40 GLU H 1 62 TYR H . . 5.100 4.953 4.345 5.113 0.013 20 0 "[ . 1 . 2]" 1
56 1 264 ASP H 1 265 GLY H . . 4.600 4.338 4.133 4.615 0.015 10 0 "[ . 1 . 2]" 1
57 1 264 ASP H 1 266 LYS H . . 4.730 4.127 3.512 5.022 0.292 18 0 "[ . 1 . 2]" 1
58 1 163 ARG H 1 164 VAL H . . 3.870 3.896 3.226 4.238 0.368 11 0 "[ . 1 . 2]" 1
59 1 87 VAL H 1 97 LEU H . . 4.100 3.463 2.747 4.167 0.067 11 0 "[ . 1 . 2]" 1
60 1 230 ASP H 1 231 ALA H . . 3.670 2.431 1.840 3.677 0.007 7 0 "[ . 1 . 2]" 1
61 1 141 ALA H 1 142 LEU H . . 4.460 4.282 4.049 4.471 0.011 15 0 "[ . 1 . 2]" 1
62 1 126 GLY H 1 141 ALA H . . 3.810 3.575 3.035 3.859 0.049 18 0 "[ . 1 . 2]" 1
63 1 96 LYS H 1 118 TYR H . . 5.200 5.029 4.784 5.131 . 0 0 "[ . 1 . 2]" 1
64 1 118 TYR H 1 125 LEU H . . 4.090 3.415 3.028 4.049 . 0 0 "[ . 1 . 2]" 1
65 1 31 LEU H 1 43 SER H . . 3.740 3.263 2.821 3.744 0.004 7 0 "[ . 1 . 2]" 1
66 1 31 LEU H 1 32 LYS H . . 4.640 4.395 4.147 4.523 . 0 0 "[ . 1 . 2]" 1
67 1 149 TRP H 1 150 LEU H . . 4.720 4.449 4.160 4.614 . 0 0 "[ . 1 . 2]" 1
68 1 258 THR H 1 278 GLY H . . 3.620 3.359 2.632 3.654 0.034 12 0 "[ . 1 . 2]" 1
69 1 258 THR H 1 259 LEU H . . 4.430 4.253 4.029 4.471 0.041 8 0 "[ . 1 . 2]" 1
70 1 187 GLY H 1 189 GLU H . . 4.810 4.005 2.815 4.724 . 0 0 "[ . 1 . 2]" 1
71 1 223 ALA H 1 235 ALA H . . 3.710 3.137 2.702 3.730 0.020 18 0 "[ . 1 . 2]" 1
72 1 238 ASN H 1 244 GLY H . . 5.500 5.064 4.386 5.623 0.123 9 0 "[ . 1 . 2]" 1
73 1 189 GLU H 1 190 PHE H . . 4.320 4.205 3.795 4.376 0.056 6 0 "[ . 1 . 2]" 1
74 1 75 TRP HE1 1 76 ASN H . . 4.830 4.682 4.272 5.467 0.637 15 1 "[ . 1 + 2]" 1
75 1 152 GLY H 1 170 ALA H . . 3.590 3.228 2.578 3.598 0.008 18 0 "[ . 1 . 2]" 1
76 1 179 GLN H 1 180 LEU H . . 4.520 4.358 4.053 4.479 . 0 0 "[ . 1 . 2]" 1
77 1 44 SER H 1 58 LEU H . . 5.240 4.966 4.593 5.124 . 0 0 "[ . 1 . 2]" 1
78 1 130 ASP H 1 138 ILE H . . 5.210 4.960 4.450 5.347 0.137 17 0 "[ . 1 . 2]" 1
79 1 7 TYR H 1 8 ALA H . . 3.130 2.535 2.398 2.825 . 0 0 "[ . 1 . 2]" 1
80 1 7 TYR H 1 9 ASP H . . 3.800 3.792 3.555 3.864 0.064 7 0 "[ . 1 . 2]" 1
81 1 266 LYS H 1 268 VAL H . . 4.660 3.966 3.571 4.715 0.055 5 0 "[ . 1 . 2]" 1
82 1 267 ASN H 1 268 VAL H . . 3.660 2.205 1.865 2.981 . 0 0 "[ . 1 . 2]" 1
83 1 153 TYR H 1 154 GLN H . . 4.480 4.341 4.169 4.511 0.031 10 0 "[ . 1 . 2]" 1
84 1 42 THR H 1 43 SER H . . 4.600 4.254 3.929 4.447 . 0 0 "[ . 1 . 2]" 1
85 1 43 SER H 1 44 SER H . . 4.620 4.351 4.218 4.519 . 0 0 "[ . 1 . 2]" 1
86 1 151 ALA H 1 152 GLY H . . 4.540 4.381 4.169 4.523 . 0 0 "[ . 1 . 2]" 1
87 1 145 GLY H 1 151 ALA H . . 4.910 4.858 4.615 5.074 0.164 7 0 "[ . 1 . 2]" 1
88 1 193 SER H 1 208 LEU H . . 5.180 4.873 4.446 5.109 . 0 0 "[ . 1 . 2]" 1
89 1 275 LEU H 1 276 GLY H . . 4.660 4.319 4.063 4.532 . 0 0 "[ . 1 . 2]" 1
90 1 146 TYR H 1 149 TRP H . . 4.200 3.938 3.288 4.279 0.079 19 0 "[ . 1 . 2]" 1
91 1 25 GLY H 1 275 LEU H . . 4.050 3.051 2.152 4.102 0.052 17 0 "[ . 1 . 2]" 1
92 1 155 MET H 1 168 ASN H . . 5.280 5.047 4.575 5.226 . 0 0 "[ . 1 . 2]" 1
93 1 154 GLN H 1 155 MET H . . 4.390 4.311 4.165 4.425 0.035 18 0 "[ . 1 . 2]" 1
94 1 118 TYR H 1 127 CYS H . . 4.860 4.440 4.070 4.931 0.071 20 0 "[ . 1 . 2]" 1
95 1 27 ILE H 1 277 LEU H . . 5.090 4.873 4.534 5.127 0.037 5 0 "[ . 1 . 2]" 1
96 1 114 ILE H 1 130 ASP H . . 5.140 4.974 4.729 5.227 0.087 20 0 "[ . 1 . 2]" 1
97 1 245 LEU H 1 261 ALA H . . 3.600 3.269 2.667 3.712 0.112 14 0 "[ . 1 . 2]" 1
98 1 260 SER H 1 261 ALA H . . 4.520 4.417 4.332 4.484 . 0 0 "[ . 1 . 2]" 1
99 1 98 THR H 1 116 THR H . . 5.400 4.901 4.472 5.084 . 0 0 "[ . 1 . 2]" 1
100 1 34 LYS H 1 35 SER H . . 4.480 4.441 4.224 4.561 0.081 17 0 "[ . 1 . 2]" 1
101 1 150 LEU H 1 173 TYR H . . 5.120 4.884 4.568 5.132 0.012 2 0 "[ . 1 . 2]" 1
102 1 156 ASN H 1 157 PHE H . . 4.510 4.338 4.054 4.553 0.043 18 0 "[ . 1 . 2]" 1
103 1 273 HIS H 1 274 LYS H . . 4.620 4.591 4.494 4.622 0.002 13 0 "[ . 1 . 2]" 1
104 1 205 ALA H 1 223 ALA H . . 5.420 4.938 4.649 5.115 . 0 0 "[ . 1 . 2]" 1
105 1 223 ALA H 1 236 LYS H . . 5.500 4.948 4.701 5.254 . 0 0 "[ . 1 . 2]" 1
106 1 8 ALA H 1 9 ASP H . . 3.440 2.386 2.247 2.651 . 0 0 "[ . 1 . 2]" 1
107 1 232 CYS H 1 233 PHE H . . 4.710 4.307 3.918 4.561 . 0 0 "[ . 1 . 2]" 1
108 1 209 ALA H 1 219 PHE H . . 5.010 4.391 3.817 4.952 . 0 0 "[ . 1 . 2]" 1
109 1 232 CYS H 1 249 GLN H . . 5.310 4.802 3.634 5.132 . 0 0 "[ . 1 . 2]" 1
110 1 165 THR H 1 166 GLN H . . 3.600 2.969 1.809 3.337 . 0 0 "[ . 1 . 2]" 1
111 1 241 SER H 1 242 LEU H . . 3.550 2.131 1.838 2.246 . 0 0 "[ . 1 . 2]" 1
112 1 221 ILE H 1 238 ASN H . . 5.220 4.855 4.525 5.148 . 0 0 "[ . 1 . 2]" 1
113 1 238 ASN H 1 242 LEU H . . 3.430 3.203 2.755 4.110 0.680 14 1 "[ . 1 +. 2]" 1
114 1 25 GLY H 1 26 LEU H . . 3.950 3.583 2.930 4.013 0.063 17 0 "[ . 1 . 2]" 1
115 1 120 ARG H 1 123 ILE H . . 4.140 3.762 3.104 4.189 0.049 19 0 "[ . 1 . 2]" 1
116 1 184 VAL H 1 185 ASN H . . 4.660 4.384 4.194 4.520 . 0 0 "[ . 1 . 2]" 1
117 1 169 PHE H 1 185 ASN H . . 5.280 4.954 4.764 5.156 . 0 0 "[ . 1 . 2]" 1
118 1 169 PHE H 1 184 VAL H . . 3.580 3.242 2.598 3.604 0.024 7 0 "[ . 1 . 2]" 1
119 1 171 VAL H 1 184 VAL H . . 5.390 4.996 4.429 5.408 0.018 4 0 "[ . 1 . 2]" 1
120 1 154 GLN H 1 169 PHE H . . 5.190 4.886 4.442 5.191 0.001 19 0 "[ . 1 . 2]" 1
121 1 266 LYS H 1 267 ASN H . . 3.760 2.623 2.323 2.930 . 0 0 "[ . 1 . 2]" 1
122 1 238 ASN H 1 240 SER H . . 4.920 4.074 3.586 4.698 . 0 0 "[ . 1 . 2]" 1
123 1 152 GLY H 1 171 VAL H . . 5.170 4.952 4.486 5.160 . 0 0 "[ . 1 . 2]" 1
124 1 221 ILE H 1 237 VAL H . . 3.530 3.372 2.922 3.585 0.055 7 0 "[ . 1 . 2]" 1
125 1 196 GLN H 1 206 VAL H . . 5.270 4.696 4.380 5.356 0.086 4 0 "[ . 1 . 2]" 1
126 1 237 VAL H 1 238 ASN H . . 4.430 4.318 4.162 4.411 . 0 0 "[ . 1 . 2]" 1
127 1 171 VAL H 1 183 ASN H . . 5.120 4.798 4.530 5.084 . 0 0 "[ . 1 . 2]" 1
128 1 46 SER H 1 55 THR H . . 3.270 3.239 2.975 3.622 0.352 15 0 "[ . 1 . 2]" 1
129 1 278 GLY H 1 279 LEU H . . 4.430 4.293 4.127 4.461 0.031 13 0 "[ . 1 . 2]" 1
130 1 32 LYS H 1 33 THR H . . 4.570 4.240 4.089 4.490 . 0 0 "[ . 1 . 2]" 1
131 1 277 LEU H 1 278 GLY H . . 4.570 4.432 4.279 4.556 . 0 0 "[ . 1 . 2]" 1
132 1 94 GLY H 1 95 LEU H . . 3.290 2.362 1.897 3.301 0.011 19 0 "[ . 1 . 2]" 1
133 1 260 SER H 1 276 GLY H . . 3.600 3.259 2.810 3.609 0.009 18 0 "[ . 1 . 2]" 1
134 1 158 GLU H 1 163 ARG H . . 4.570 3.405 2.275 4.928 0.358 18 0 "[ . 1 . 2]" 1
135 1 9 ASP H 1 10 LEU H . . 3.490 2.383 2.019 2.501 . 0 0 "[ . 1 . 2]" 1
136 1 260 SER H 1 277 LEU H . . 5.100 4.944 4.712 5.118 0.018 13 0 "[ . 1 . 2]" 1
137 1 236 LYS H 1 244 GLY H . . 3.660 3.353 2.812 3.763 0.103 13 0 "[ . 1 . 2]" 1
138 1 158 GLU H 1 162 SER H . . 5.300 4.943 3.984 5.683 0.383 4 0 "[ . 1 . 2]" 1
139 1 162 SER H 1 163 ARG H . . 3.580 2.778 1.763 3.544 . 0 0 "[ . 1 . 2]" 1
140 1 181 HIS H 1 193 SER H . . 3.640 3.229 2.646 3.703 0.063 14 0 "[ . 1 . 2]" 1
141 1 193 SER H 1 194 ILE H . . 4.390 4.328 4.265 4.404 0.014 11 0 "[ . 1 . 2]" 1
142 1 126 GLY H 1 127 CYS H . . 4.280 4.015 3.626 4.406 0.126 16 0 "[ . 1 . 2]" 1
143 1 118 TYR H 1 126 GLY H . . 5.180 4.808 4.493 5.037 . 0 0 "[ . 1 . 2]" 1
144 1 140 GLY H 1 156 ASN H . . 5.220 4.742 4.414 4.975 . 0 0 "[ . 1 . 2]" 1
145 1 239 ASN H 1 240 SER H . . 4.090 3.209 2.635 3.956 . 0 0 "[ . 1 . 2]" 1
146 1 238 ASN H 1 239 ASN H . . 4.550 4.431 4.370 4.559 0.009 14 0 "[ . 1 . 2]" 1
147 1 172 GLY H 1 173 TYR H . . 4.440 4.338 4.104 4.496 0.056 14 0 "[ . 1 . 2]" 1
148 1 171 VAL H 1 172 GLY H . . 4.460 4.289 4.040 4.457 . 0 0 "[ . 1 . 2]" 1
149 1 265 GLY H 1 266 LYS H . . 3.610 2.661 2.515 2.769 . 0 0 "[ . 1 . 2]" 1
150 1 243 ILE H 1 265 GLY H . . 3.590 3.230 2.733 3.634 0.044 14 0 "[ . 1 . 2]" 1
151 1 261 ALA H 1 276 GLY H . . 5.170 4.750 4.181 5.105 . 0 0 "[ . 1 . 2]" 1
152 1 26 LEU H 1 276 GLY H . . 5.030 4.647 4.274 5.071 0.041 17 0 "[ . 1 . 2]" 1
153 1 254 GLY H 1 255 ILE H . . 3.610 2.895 1.919 3.725 0.115 20 0 "[ . 1 . 2]" 1
154 1 183 ASN H 1 191 GLY H . . 3.520 3.289 2.835 3.979 0.459 7 0 "[ . 1 . 2]" 1
155 1 239 ASN H 1 241 SER H . . 5.050 4.157 3.357 5.650 0.600 9 2 "[ . +1 -. 2]" 1
156 1 271 GLY H 1 272 GLY H . . 4.090 2.930 1.893 4.050 . 0 0 "[ . 1 . 2]" 1
157 1 185 ASN H 1 188 THR H . . 4.880 4.026 3.222 5.039 0.159 13 0 "[ . 1 . 2]" 1
158 1 188 THR H 1 189 GLU H . . 3.550 2.269 1.896 2.782 . 0 0 "[ . 1 . 2]" 1
159 1 152 GLY H 1 153 TYR H . . 4.370 4.158 3.592 4.441 0.071 11 0 "[ . 1 . 2]" 1
160 1 207 ASN H 1 220 GLY H . . 3.660 3.424 2.864 3.697 0.037 4 0 "[ . 1 . 2]" 1
161 1 219 PHE H 1 220 GLY H . . 4.750 3.977 2.407 4.602 . 0 0 "[ . 1 . 2]" 1
162 1 192 GLY H 1 193 SER H . . 4.540 4.428 4.357 4.524 . 0 0 "[ . 1 . 2]" 1
163 1 186 ASP H 1 187 GLY H . . 3.550 2.787 2.616 3.639 0.089 13 0 "[ . 1 . 2]" 1
164 1 145 GLY H 1 146 TYR H . . 4.290 4.213 3.206 4.432 0.142 20 0 "[ . 1 . 2]" 1
165 1 187 GLY H 1 188 THR H . . 3.320 2.678 1.807 3.039 . 0 0 "[ . 1 . 2]" 1
166 1 185 ASN H 1 187 GLY H . . 4.240 3.821 3.181 4.449 0.209 17 0 "[ . 1 . 2]" 1
167 1 144 LEU H 1 145 GLY H . . 4.510 4.409 4.255 4.519 0.009 2 0 "[ . 1 . 2]" 1
168 1 68 GLY H 1 69 LEU H . . 4.160 3.852 2.803 4.492 0.332 10 0 "[ . 1 . 2]" 1
169 1 247 TYR H 1 259 LEU H . . 4.000 3.838 3.040 4.357 0.357 16 0 "[ . 1 . 2]" 1
170 1 242 LEU H 1 243 ILE H . . 4.600 4.312 3.973 4.518 . 0 0 "[ . 1 . 2]" 1
171 1 38 GLY H 1 39 LEU H . . 3.490 2.565 1.843 3.513 0.023 11 0 "[ . 1 . 2]" 1
172 1 204 THR H 1 205 ALA H . . 4.640 4.434 4.238 4.533 . 0 0 "[ . 1 . 2]" 1
173 1 46 SER H 1 56 GLY H . . 5.160 4.760 4.214 5.093 . 0 0 "[ . 1 . 2]" 1
174 1 263 LEU MD2 1 264 ASP H . . 5.170 4.519 3.794 5.055 . 0 0 "[ . 1 . 2]" 1
175 1 262 LEU MD1 1 264 ASP H . . 4.920 3.077 2.434 3.722 . 0 0 "[ . 1 . 2]" 1
176 1 264 ASP H 1 268 VAL QG . . 3.670 1.831 1.729 1.937 . 0 0 "[ . 1 . 2]" 1
177 1 262 LEU MD2 1 264 ASP H . . 4.920 4.781 4.235 5.061 0.141 7 0 "[ . 1 . 2]" 1
178 1 243 ILE MD 1 264 ASP H . . 5.030 4.421 3.686 4.869 . 0 0 "[ . 1 . 2]" 1
179 1 193 SER H 1 194 ILE MD . . 3.780 3.311 2.819 3.801 0.021 11 0 "[ . 1 . 2]" 1
180 1 263 LEU H 1 263 LEU MD1 . . 4.200 4.040 3.256 4.306 0.106 19 0 "[ . 1 . 2]" 1
181 1 262 LEU MD2 1 263 LEU H . . 3.500 2.313 1.925 2.747 . 0 0 "[ . 1 . 2]" 1
182 1 262 LEU MD1 1 263 LEU H . . 3.500 2.703 2.192 3.259 . 0 0 "[ . 1 . 2]" 1
183 1 263 LEU H 1 268 VAL QG . . 5.290 4.405 4.074 4.692 . 0 0 "[ . 1 . 2]" 1
184 1 243 ILE MD 1 263 LEU H . . 4.550 4.329 3.435 4.676 0.126 14 0 "[ . 1 . 2]" 1
185 1 123 ILE MD 1 125 LEU H . . 5.320 4.137 2.578 5.337 0.017 14 0 "[ . 1 . 2]" 1
186 1 180 LEU H 1 180 LEU MD2 . . 4.270 4.029 3.623 4.351 0.081 4 0 "[ . 1 . 2]" 1
187 1 180 LEU H 1 180 LEU MD1 . . 4.470 4.163 3.756 4.534 0.064 2 0 "[ . 1 . 2]" 1
188 1 184 VAL MG1 1 185 ASN H . . 4.340 2.864 2.040 4.039 . 0 0 "[ . 1 . 2]" 1
189 1 144 LEU H 1 144 LEU MD1 . . 4.530 3.241 2.465 4.212 . 0 0 "[ . 1 . 2]" 1
190 1 87 VAL H 1 87 VAL MG2 . . 4.060 3.237 2.210 3.870 . 0 0 "[ . 1 . 2]" 1
191 1 87 VAL H 1 87 VAL MG1 . . 4.060 2.772 1.883 3.964 . 0 0 "[ . 1 . 2]" 1
192 1 85 ILE MD 1 87 VAL H . . 5.290 4.176 3.156 5.353 0.063 10 0 "[ . 1 . 2]" 1
193 1 58 LEU MD1 1 59 GLU H . . 3.020 2.246 1.892 2.564 . 0 0 "[ . 1 . 2]" 1
194 1 242 LEU MD2 1 243 ILE H . . 3.670 2.525 1.882 3.982 0.312 19 0 "[ . 1 . 2]" 1
195 1 58 LEU MD2 1 59 GLU H . . 3.020 2.861 1.915 3.054 0.034 2 0 "[ . 1 . 2]" 1
196 1 138 ILE H 1 138 ILE MD . . 3.090 2.768 2.098 3.306 0.216 17 0 "[ . 1 . 2]" 1
197 1 243 ILE H 1 262 LEU MD2 . . 4.480 3.762 3.347 4.337 . 0 0 "[ . 1 . 2]" 1
198 1 242 LEU MD1 1 243 ILE H . . 3.670 2.809 1.885 3.754 0.084 7 0 "[ . 1 . 2]" 1
199 1 243 ILE H 1 243 ILE MD . . 5.500 2.207 1.844 2.779 . 0 0 "[ . 1 . 2]" 1
200 1 237 VAL H 1 237 VAL MG2 . . 3.920 3.131 2.380 3.788 . 0 0 "[ . 1 . 2]" 1
201 1 184 VAL H 1 184 VAL MG1 . . 3.770 3.420 1.985 3.910 0.140 7 0 "[ . 1 . 2]" 1
202 1 42 THR H 1 58 LEU MD1 . . 4.390 3.464 2.954 4.194 . 0 0 "[ . 1 . 2]" 1
203 1 164 VAL H 1 164 VAL MG1 . . 3.940 3.231 1.876 3.764 . 0 0 "[ . 1 . 2]" 1
204 1 268 VAL QG 1 274 LYS H . . 4.050 3.291 2.717 3.501 . 0 0 "[ . 1 . 2]" 1
205 1 137 SER H 1 138 ILE MD . . 3.960 3.751 2.975 4.131 0.171 9 0 "[ . 1 . 2]" 1
206 1 263 LEU MD2 1 274 LYS H . . 4.700 3.313 2.277 4.615 . 0 0 "[ . 1 . 2]" 1
207 1 114 ILE H 1 114 ILE MD . . 5.500 4.288 3.676 4.693 . 0 0 "[ . 1 . 2]" 1
208 1 35 SER H 1 39 LEU MD2 . . 4.530 3.677 1.871 4.603 0.073 14 0 "[ . 1 . 2]" 1
209 1 35 SER H 1 39 LEU MD1 . . 4.430 3.634 2.375 4.675 0.245 17 0 "[ . 1 . 2]" 1
210 1 194 ILE H 1 194 ILE MD . . 2.980 2.578 2.214 3.041 0.061 9 0 "[ . 1 . 2]" 1
211 1 54 VAL MG1 1 55 THR H . . 4.350 2.542 2.122 3.919 . 0 0 "[ . 1 . 2]" 1
212 1 208 LEU H 1 208 LEU MD1 . . 5.500 3.379 1.793 4.222 . 0 0 "[ . 1 . 2]" 1
213 1 262 LEU H 1 262 LEU MD2 . . 4.270 4.168 4.047 4.230 . 0 0 "[ . 1 . 2]" 1
214 1 27 ILE H 1 27 ILE MD . . 3.550 3.211 2.616 3.557 0.007 11 0 "[ . 1 . 2]" 1
215 1 164 VAL MG2 1 165 THR H . . 4.470 3.720 2.064 4.154 . 0 0 "[ . 1 . 2]" 1
216 1 192 GLY H 1 208 LEU MD1 . . 4.380 2.892 1.828 4.172 . 0 0 "[ . 1 . 2]" 1
217 1 81 LEU H 1 81 LEU MD1 . . 4.470 3.576 1.863 4.235 . 0 0 "[ . 1 . 2]" 1
218 1 268 VAL H 1 268 VAL QG . . 2.520 1.897 1.724 1.973 . 0 0 "[ . 1 . 2]" 1
219 1 243 ILE MD 1 265 GLY H . . 4.400 2.525 1.909 3.640 . 0 0 "[ . 1 . 2]" 1
220 1 133 ILE H 1 133 ILE MD . . 3.440 2.681 1.840 3.816 0.376 4 0 "[ . 1 . 2]" 1
221 1 227 ILE MD 1 228 ASP H . . 4.020 3.704 3.004 4.288 0.268 14 0 "[ . 1 . 2]" 1
222 1 268 VAL QG 1 269 ASN H . . 3.120 2.499 1.745 2.701 . 0 0 "[ . 1 . 2]" 1
223 1 243 ILE MD 1 266 LYS H . . 4.480 2.920 1.873 4.276 . 0 0 "[ . 1 . 2]" 1
224 1 227 ILE H 1 227 ILE MD . . 5.040 3.251 1.901 4.621 . 0 0 "[ . 1 . 2]" 1
225 1 68 GLY H 1 69 LEU MD2 . . 5.350 4.724 2.653 5.826 0.476 10 0 "[ . 1 . 2]" 1
226 1 68 GLY H 1 69 LEU MD1 . . 5.350 4.359 2.842 5.599 0.249 8 0 "[ . 1 . 2]" 1
227 1 39 LEU H 1 39 LEU MD2 . . 5.500 3.161 1.778 4.212 . 0 0 "[ . 1 . 2]" 1
228 1 39 LEU H 1 39 LEU MD1 . . 5.500 3.312 1.825 4.330 . 0 0 "[ . 1 . 2]" 1
229 1 237 VAL MG2 1 238 ASN H . . 4.160 3.558 2.122 4.202 0.042 12 0 "[ . 1 . 2]" 1
230 1 237 VAL MG1 1 238 ASN H . . 4.160 2.760 1.990 4.188 0.028 19 0 "[ . 1 . 2]" 1
231 1 26 LEU H 1 27 ILE MD . . 4.050 3.679 2.898 4.058 0.008 20 0 "[ . 1 . 2]" 1
232 1 267 ASN H 1 268 VAL QG . . 3.470 3.064 2.796 3.454 . 0 0 "[ . 1 . 2]" 1
233 1 243 ILE MD 1 267 ASN H . . 5.210 4.449 3.251 5.318 0.108 19 0 "[ . 1 . 2]" 1
234 1 10 LEU H 1 10 LEU MD2 . . 4.200 3.500 1.998 4.253 0.053 8 0 "[ . 1 . 2]" 1
235 1 10 LEU H 1 10 LEU MD1 . . 4.200 3.363 2.336 4.159 . 0 0 "[ . 1 . 2]" 1
236 1 69 LEU H 1 69 LEU MD1 . . 4.240 3.215 2.086 4.188 . 0 0 "[ . 1 . 2]" 1
237 1 69 LEU H 1 69 LEU MD2 . . 4.240 3.128 1.809 4.350 0.110 12 0 "[ . 1 . 2]" 1
238 1 242 LEU H 1 243 ILE MD . . 5.290 4.096 3.458 5.377 0.087 17 0 "[ . 1 . 2]" 1
239 1 242 LEU H 1 242 LEU MD2 . . 4.290 4.089 2.987 4.498 0.208 19 0 "[ . 1 . 2]" 1
240 1 123 ILE MD 1 142 LEU MD1 . . 4.930 2.695 1.792 5.032 0.102 11 0 "[ . 1 . 2]" 1
241 1 221 ILE MD 1 237 VAL MG1 . . 3.300 2.691 1.914 3.347 0.047 14 0 "[ . 1 . 2]" 1
242 1 123 ILE MD 1 144 LEU MD1 . . 4.460 3.163 1.885 4.697 0.237 18 0 "[ . 1 . 2]" 1
243 1 194 ILE MD 1 206 VAL MG1 . . 3.660 2.768 2.030 3.353 . 0 0 "[ . 1 . 2]" 1
244 1 194 ILE MD 1 206 VAL MG2 . . 4.060 3.668 2.882 4.145 0.085 6 0 "[ . 1 . 2]" 1
245 1 242 LEU MD2 1 262 LEU MD1 . . 4.220 2.419 1.738 4.113 . 0 0 "[ . 1 . 2]" 1
246 1 221 ILE MD 1 237 VAL MG2 . . 3.300 2.954 1.984 3.382 0.082 19 0 "[ . 1 . 2]" 1
247 1 242 LEU MD1 1 262 LEU MD2 . . 4.220 2.293 1.722 3.678 . 0 0 "[ . 1 . 2]" 1
248 1 242 LEU MD1 1 262 LEU MD1 . . 4.220 3.109 1.876 3.865 . 0 0 "[ . 1 . 2]" 1
249 1 243 ILE MD 1 262 LEU MD1 . . 5.500 4.830 4.150 5.476 . 0 0 "[ . 1 . 2]" 1
250 1 210 TRP HE1 1 212 ALA H . . 4.240 4.117 3.713 4.324 0.084 6 0 "[ . 1 . 2]" 1
251 1 75 TRP HE1 1 81 LEU H . . 5.500 4.943 3.919 5.725 0.225 12 0 "[ . 1 . 2]" 1
252 1 75 TRP HE1 1 81 LEU MD1 . . 4.280 3.306 1.946 5.180 0.900 15 1 "[ . 1 + 2]" 1
253 1 227 ILE H 1 231 ALA H . . 5.390 5.143 3.600 5.664 0.274 13 0 "[ . 1 . 2]" 1
254 1 147 GLU H 1 149 TRP HE1 . . 4.920 4.940 4.512 5.499 0.579 11 2 "[ . 1+ . - 2]" 1
255 1 116 THR H 1 128 ASP H . . 5.060 4.677 4.220 5.120 0.060 16 0 "[ . 1 . 2]" 1
256 1 185 ASN H 1 189 GLU H . . 4.130 3.245 2.627 4.161 0.031 11 0 "[ . 1 . 2]" 1
257 1 225 TYR H 1 233 PHE H . . 4.160 3.634 2.663 4.196 0.036 16 0 "[ . 1 . 2]" 1
258 1 85 ILE H 1 100 ASP H . . 5.340 4.870 3.035 5.382 0.042 5 0 "[ . 1 . 2]" 1
259 1 99 PHE H 1 100 ASP H . . 4.410 4.250 3.998 4.419 0.009 8 0 "[ . 1 . 2]" 1
260 1 124 ASN H 1 125 LEU H . . 4.520 4.403 4.105 4.540 0.020 10 0 "[ . 1 . 2]" 1
261 1 119 LYS H 1 125 LEU H . . 5.140 4.995 4.414 5.135 . 0 0 "[ . 1 . 2]" 1
262 1 130 ASP H 1 139 ARG H . . 4.590 4.321 3.745 4.896 0.306 17 0 "[ . 1 . 2]" 1
263 1 81 LEU H 1 104 SER H . . 5.500 4.885 2.587 5.259 . 0 0 "[ . 1 . 2]" 1
264 1 140 GLY H 1 157 PHE H . . 5.200 4.238 3.536 5.168 . 0 0 "[ . 1 . 2]" 1
265 1 157 PHE H 1 165 THR H . . 5.700 5.450 4.056 6.105 0.405 9 0 "[ . 1 . 2]" 1
266 1 157 PHE H 1 164 VAL MG1 . . 4.420 4.566 3.006 5.295 0.875 16 3 "[ . -1 * .+ 2]" 1
267 1 157 PHE H 1 164 VAL MG2 . . 5.220 4.525 3.678 5.481 0.261 8 0 "[ . 1 . 2]" 1
268 1 195 TYR H 1 206 VAL H . . 5.230 4.934 4.607 5.076 . 0 0 "[ . 1 . 2]" 1
269 1 194 ILE MD 1 195 TYR H . . 4.840 4.710 3.887 5.020 0.180 4 0 "[ . 1 . 2]" 1
270 1 61 LYS H 1 62 TYR H . . 4.360 4.307 4.144 4.386 0.026 19 0 "[ . 1 . 2]" 1
271 1 97 LEU H 1 98 THR H . . 4.570 4.411 4.193 4.545 . 0 0 "[ . 1 . 2]" 1
272 1 190 PHE H 1 212 ALA H . . 4.280 3.960 3.270 4.688 0.408 7 0 "[ . 1 . 2]" 1
273 1 40 GLU H 1 61 LYS H . . 3.140 2.945 2.069 3.206 0.066 15 0 "[ . 1 . 2]" 1
274 1 212 ALA H 1 213 GLY H . . 4.310 3.419 2.273 4.331 0.021 2 0 "[ . 1 . 2]" 1
275 1 85 ILE H 1 99 PHE H . . 3.960 3.538 2.868 4.281 0.321 20 0 "[ . 1 . 2]" 1
276 1 85 ILE MD 1 99 PHE H . . 4.160 3.648 2.252 4.623 0.463 20 0 "[ . 1 . 2]" 1
277 1 85 ILE H 1 85 ILE MD . . 5.500 3.896 3.581 4.630 . 0 0 "[ . 1 . 2]" 1
278 1 243 ILE H 1 262 LEU MD1 . . 4.480 4.089 3.425 4.548 0.068 12 0 "[ . 1 . 2]" 1
279 1 99 PHE H 1 115 LYS H . . 4.970 4.827 4.645 5.082 0.112 20 0 "[ . 1 . 2]" 1
280 1 100 ASP H 1 115 LYS H . . 5.100 4.351 3.852 5.108 0.008 18 0 "[ . 1 . 2]" 1
281 1 28 LYS H 1 277 LEU H . . 4.250 3.951 2.925 4.295 0.045 19 0 "[ . 1 . 2]" 1
282 1 114 ILE MD 1 115 LYS H . . 5.280 3.222 1.956 4.085 . 0 0 "[ . 1 . 2]" 1
283 1 208 LEU MD2 1 209 ALA H . . 5.310 4.353 1.917 5.254 . 0 0 "[ . 1 . 2]" 1
284 1 205 ALA H 1 222 ALA H . . 3.840 3.340 2.846 3.801 . 0 0 "[ . 1 . 2]" 1
285 1 32 LYS H 1 283 ALA H . . 4.000 3.920 3.156 4.039 0.039 6 0 "[ . 1 . 2]" 1
286 1 144 LEU H 1 144 LEU MD2 . . 4.530 2.826 1.889 4.508 . 0 0 "[ . 1 . 2]" 1
287 1 221 ILE MD 1 222 ALA H . . 5.390 4.113 3.124 4.892 . 0 0 "[ . 1 . 2]" 1
288 1 263 LEU H 1 263 LEU MD2 . . 4.200 2.701 2.341 3.172 . 0 0 "[ . 1 . 2]" 1
289 1 190 PHE H 1 210 TRP H . . 4.200 3.834 3.516 4.355 0.155 7 0 "[ . 1 . 2]" 1
290 1 196 GLN H 1 197 LYS H . . 4.400 4.288 3.988 4.458 0.058 8 0 "[ . 1 . 2]" 1
291 1 8 ALA H 1 10 LEU H . . 4.110 3.989 3.826 4.134 0.024 18 0 "[ . 1 . 2]" 1
292 1 7 TYR H 1 10 LEU H . . 5.030 4.920 4.396 5.080 0.050 9 0 "[ . 1 . 2]" 1
293 1 123 ILE MD 1 143 VAL H . . 4.620 4.308 3.569 4.668 0.048 4 0 "[ . 1 . 2]" 1
294 1 118 TYR H 1 119 LYS H . . 4.470 4.322 4.104 4.454 . 0 0 "[ . 1 . 2]" 1
295 1 110 LYS H 1 111 ASN H . . 4.550 4.346 4.102 4.535 . 0 0 "[ . 1 . 2]" 1
296 1 104 SER H 1 110 LYS H . . 5.090 4.706 2.746 5.526 0.436 17 0 "[ . 1 . 2]" 1
297 1 33 THR H 1 41 PHE H . . 4.120 3.482 3.010 4.343 0.223 3 0 "[ . 1 . 2]" 1
298 1 282 GLN H 1 283 ALA H . . 4.500 4.383 4.178 4.511 0.011 6 0 "[ . 1 . 2]" 1
299 1 258 THR H 1 279 LEU H . . 5.170 5.061 4.711 5.158 . 0 0 "[ . 1 . 2]" 1
300 1 262 LEU H 1 262 LEU MD1 . . 4.270 4.056 3.890 4.177 . 0 0 "[ . 1 . 2]" 1
301 1 164 VAL H 1 164 VAL MG2 . . 3.940 2.428 1.986 3.748 . 0 0 "[ . 1 . 2]" 1
302 1 128 ASP H 1 141 ALA H . . 4.760 4.134 3.625 4.708 . 0 0 "[ . 1 . 2]" 1
303 1 140 GLY H 1 141 ALA H . . 4.670 4.353 4.242 4.488 . 0 0 "[ . 1 . 2]" 1
304 1 231 ALA H 1 232 CYS H . . 4.900 4.281 3.638 4.596 . 0 0 "[ . 1 . 2]" 1
305 1 29 LEU H 1 30 ASP H . . 4.550 4.247 3.997 4.500 . 0 0 "[ . 1 . 2]" 1
306 1 27 ILE H 1 47 ALA H . . 3.600 3.247 2.536 3.612 0.012 20 0 "[ . 1 . 2]" 1
307 1 47 ALA H 1 48 ASN H . . 4.610 4.377 4.171 4.524 . 0 0 "[ . 1 . 2]" 1
308 1 85 ILE MD 1 86 THR H . . 5.030 3.631 2.030 4.716 . 0 0 "[ . 1 . 2]" 1
309 1 30 ASP H 1 31 LEU H . . 4.590 4.317 4.173 4.527 . 0 0 "[ . 1 . 2]" 1
310 1 33 THR H 1 34 LYS H . . 4.450 4.361 4.199 4.457 0.007 6 0 "[ . 1 . 2]" 1
311 1 283 ALA H 1 284 LEU H . . 4.420 4.328 4.182 4.431 0.011 14 0 "[ . 1 . 2]" 1
312 1 114 ILE MD 1 129 MET H . . 4.810 4.214 3.080 4.922 0.112 3 0 "[ . 1 . 2]" 1
313 1 129 MET H 1 139 ARG H . . 4.930 4.701 4.384 4.904 . 0 0 "[ . 1 . 2]" 1
314 1 131 PHE H 1 137 SER H . . 5.180 5.026 4.763 5.158 . 0 0 "[ . 1 . 2]" 1
315 1 146 TYR H 1 147 GLU H . . 4.370 4.474 4.356 4.503 0.133 19 0 "[ . 1 . 2]" 1
316 1 146 TYR H 1 150 LEU H . . 5.340 4.867 4.579 5.344 0.004 8 0 "[ . 1 . 2]" 1
317 1 146 TYR H 1 151 ALA H . . 5.500 4.554 4.056 5.597 0.097 20 0 "[ . 1 . 2]" 1
318 1 238 ASN H 1 241 SER H . . 4.580 4.168 3.916 5.165 0.585 9 1 "[ . +1 . 2]" 1
319 1 238 ASN H 1 242 LEU MD2 . . 5.210 4.817 3.038 5.346 0.136 5 0 "[ . 1 . 2]" 1
320 1 138 ILE H 1 157 PHE H . . 3.900 3.837 3.366 4.310 0.410 9 0 "[ . 1 . 2]" 1
321 1 35 SER H 1 39 LEU H . . 4.530 3.922 2.055 4.565 0.035 11 0 "[ . 1 . 2]" 1
322 1 169 PHE H 1 170 ALA H . . 4.670 4.411 4.240 4.498 . 0 0 "[ . 1 . 2]" 1
323 1 81 LEU H 1 103 PHE H . . 3.560 3.443 3.016 4.287 0.727 19 1 "[ . 1 . +2]" 1
324 1 170 ALA H 1 171 VAL H . . 4.480 4.353 4.221 4.512 0.032 14 0 "[ . 1 . 2]" 1
325 1 48 ASN H 1 53 LYS H . . 4.460 4.019 3.334 4.551 0.091 17 0 "[ . 1 . 2]" 1
326 1 58 LEU H 1 58 LEU MD2 . . 4.890 4.049 3.905 4.246 . 0 0 "[ . 1 . 2]" 1
327 1 147 GLU H 1 149 TRP H . . 4.070 4.230 3.767 4.720 0.650 4 3 "[ +.* 1 . -]" 1
328 1 207 ASN H 1 208 LEU H . . 4.570 4.377 4.176 4.496 . 0 0 "[ . 1 . 2]" 1
329 1 274 LYS H 1 275 LEU H . . 4.550 4.465 4.388 4.528 . 0 0 "[ . 1 . 2]" 1
330 1 192 GLY H 1 208 LEU H . . 3.610 3.436 2.735 3.670 0.060 7 0 "[ . 1 . 2]" 1
331 1 26 LEU H 1 275 LEU H . . 4.470 3.934 2.936 4.493 0.023 20 0 "[ . 1 . 2]" 1
332 1 208 LEU H 1 208 LEU MD2 . . 5.500 3.141 1.854 4.226 . 0 0 "[ . 1 . 2]" 1
333 1 127 CYS H 1 128 ASP H . . 4.530 4.397 4.247 4.543 0.013 16 0 "[ . 1 . 2]" 1
334 1 209 ALA H 1 210 TRP H . . 4.640 4.359 4.147 4.503 . 0 0 "[ . 1 . 2]" 1
335 1 117 GLY H 1 127 CYS H . . 5.500 5.048 4.715 5.216 . 0 0 "[ . 1 . 2]" 1
336 1 191 GLY H 1 210 TRP H . . 4.900 4.633 2.236 4.933 0.033 13 0 "[ . 1 . 2]" 1
337 1 155 MET H 1 156 ASN H . . 4.570 4.424 4.348 4.550 . 0 0 "[ . 1 . 2]" 1
338 1 276 GLY H 1 277 LEU H . . 4.450 4.168 3.917 4.371 . 0 0 "[ . 1 . 2]" 1
339 1 103 PHE H 1 104 SER H . . 4.410 4.239 4.071 4.396 . 0 0 "[ . 1 . 2]" 1
340 1 26 LEU H 1 277 LEU H . . 4.270 3.899 3.524 4.221 . 0 0 "[ . 1 . 2]" 1
341 1 104 SER H 1 109 LYS H . . 4.240 3.562 2.859 4.185 . 0 0 "[ . 1 . 2]" 1
342 1 27 ILE MD 1 277 LEU H . . 3.400 3.107 2.413 3.482 0.082 15 0 "[ . 1 . 2]" 1
343 1 272 GLY H 1 273 HIS H . . 3.970 2.579 1.865 4.079 0.109 19 0 "[ . 1 . 2]" 1
344 1 114 ILE H 1 129 MET H . . 3.670 3.211 2.802 3.576 . 0 0 "[ . 1 . 2]" 1
345 1 114 ILE H 1 115 LYS H . . 4.520 4.425 4.281 4.521 0.001 12 0 "[ . 1 . 2]" 1
346 1 44 SER H 1 57 SER H . . 3.600 3.312 2.954 3.688 0.088 15 0 "[ . 1 . 2]" 1
347 1 210 TRP H 1 211 THR H . . 4.510 4.319 3.969 4.498 . 0 0 "[ . 1 . 2]" 1
348 1 211 THR H 1 212 ALA H . . 4.370 4.344 4.198 4.447 0.077 6 0 "[ . 1 . 2]" 1
349 1 211 THR H 1 213 GLY H . . 5.440 5.247 4.710 5.583 0.143 6 0 "[ . 1 . 2]" 1
350 1 104 SER H 1 111 ASN H . . 5.340 4.903 4.034 5.348 0.008 7 0 "[ . 1 . 2]" 1
351 1 98 THR H 1 99 PHE H . . 4.340 4.241 3.971 4.543 0.203 20 0 "[ . 1 . 2]" 1
352 1 98 THR H 1 115 LYS H . . 3.560 3.235 1.896 3.606 0.046 12 0 "[ . 1 . 2]" 1
353 1 60 THR H 1 61 LYS H . . 4.520 4.407 4.238 4.520 . 4 0 "[ . 1 . 2]" 1
354 1 261 ALA H 1 262 LEU H . . 4.480 4.304 4.071 4.395 . 0 0 "[ . 1 . 2]" 1
355 1 98 THR H 1 114 ILE MD . . 4.200 3.747 2.704 4.266 0.066 17 0 "[ . 1 . 2]" 1
356 1 42 THR H 1 59 GLU H . . 3.830 3.557 2.811 3.904 0.074 15 0 "[ . 1 . 2]" 1
357 1 113 LYS H 1 114 ILE H . . 4.390 4.318 4.145 4.426 0.036 18 0 "[ . 1 . 2]" 1
358 1 35 SER H 1 38 GLY H . . 4.320 3.901 3.329 4.366 0.046 1 0 "[ . 1 . 2]" 1
359 1 173 TYR H 1 180 LEU H . . 3.690 3.193 2.015 3.745 0.055 6 0 "[ . 1 . 2]" 1
360 1 173 TYR H 1 181 HIS H . . 5.200 4.831 4.279 5.213 0.013 6 0 "[ . 1 . 2]" 1
361 1 173 TYR H 1 174 LYS H . . 4.390 4.361 4.053 4.517 0.127 4 0 "[ . 1 . 2]" 1
362 1 262 LEU H 1 274 LYS H . . 3.560 3.471 2.871 3.815 0.255 13 0 "[ . 1 . 2]" 1
363 1 156 ASN H 1 166 GLN H . . 4.160 3.986 3.293 4.321 0.161 20 0 "[ . 1 . 2]" 1
364 1 156 ASN H 1 164 VAL MG1 . . 4.110 2.868 1.773 4.271 0.161 16 0 "[ . 1 . 2]" 1
365 1 156 ASN H 1 164 VAL MG2 . . 4.110 3.587 1.839 4.124 0.014 19 0 "[ . 1 . 2]" 1
366 1 167 SER H 1 168 ASN H . . 4.390 4.217 3.779 4.469 0.079 18 0 "[ . 1 . 2]" 1
367 1 55 THR H 1 56 GLY H . . 4.750 4.445 4.314 4.564 . 0 0 "[ . 1 . 2]" 1
368 1 156 ASN H 1 165 THR H . . 5.010 4.602 4.110 5.170 0.160 20 0 "[ . 1 . 2]" 1
369 1 166 GLN H 1 167 SER H . . 4.550 4.359 4.215 4.465 . 0 0 "[ . 1 . 2]" 1
370 1 164 VAL MG1 1 165 THR H . . 4.470 3.029 2.188 4.138 . 0 0 "[ . 1 . 2]" 1
371 1 220 GLY H 1 221 ILE H . . 4.490 4.355 4.210 4.465 . 0 0 "[ . 1 . 2]" 1
372 1 221 ILE H 1 221 ILE MD . . 5.500 2.811 1.843 3.855 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU H 1 27 ILE H . . 4.520 4.437 4.279 4.548 0.028 13 0 "[ . 1 . 2]" 1
374 1 242 LEU H 1 265 GLY H . . 4.760 4.545 3.226 4.945 0.185 5 0 "[ . 1 . 2]" 1
375 1 240 SER H 1 242 LEU H . . 4.410 4.038 3.539 4.269 . 0 0 "[ . 1 . 2]" 1
376 1 228 ASP H 1 231 ALA H . . 4.380 3.856 2.894 4.562 0.182 12 0 "[ . 1 . 2]" 1
377 1 242 LEU H 1 242 LEU MD1 . . 4.290 4.025 2.157 4.547 0.257 19 0 "[ . 1 . 2]" 1
378 1 168 ASN H 1 169 PHE H . . 4.720 4.477 4.257 4.562 . 0 0 "[ . 1 . 2]" 1
379 1 137 SER H 1 138 ILE H . . 4.460 4.395 4.113 4.570 0.110 16 0 "[ . 1 . 2]" 1
380 1 169 PHE H 1 184 VAL MG1 . . 4.530 3.570 3.104 4.559 0.029 20 0 "[ . 1 . 2]" 1
381 1 184 VAL H 1 184 VAL MG2 . . 3.470 2.969 2.169 3.840 0.370 1 0 "[ . 1 . 2]" 1
382 1 169 PHE H 1 184 VAL MG2 . . 4.530 4.081 2.190 4.623 0.093 11 0 "[ . 1 . 2]" 1
383 1 123 ILE H 1 123 ILE MD . . 5.500 4.059 3.454 4.821 . 0 0 "[ . 1 . 2]" 1
384 1 266 LYS H 1 268 VAL QG . . 3.990 3.526 3.149 3.964 . 0 0 "[ . 1 . 2]" 1
385 1 116 THR H 1 127 CYS H . . 3.950 3.606 3.094 3.960 0.010 3 0 "[ . 1 . 2]" 1
386 1 194 ILE H 1 206 VAL H . . 3.260 3.108 2.627 3.438 0.178 7 0 "[ . 1 . 2]" 1
387 1 206 VAL H 1 206 VAL MG1 . . 4.020 2.289 1.915 3.867 . 0 0 "[ . 1 . 2]" 1
388 1 221 ILE MD 1 237 VAL H . . 4.330 3.642 2.532 4.309 . 0 0 "[ . 1 . 2]" 1
389 1 28 LYS H 1 278 GLY H . . 5.020 4.761 4.430 4.958 . 0 0 "[ . 1 . 2]" 1
390 1 244 GLY H 1 263 LEU H . . 5.050 4.697 4.466 5.055 0.005 3 0 "[ . 1 . 2]" 1
391 1 126 GLY H 1 142 LEU H . . 5.140 4.853 4.307 5.082 . 0 0 "[ . 1 . 2]" 1
392 1 116 THR H 1 117 GLY H . . 4.350 4.252 3.924 4.408 0.058 17 0 "[ . 1 . 2]" 1
393 1 128 ASP H 1 140 GLY H . . 5.040 4.935 4.538 5.069 0.029 8 0 "[ . 1 . 2]" 1
394 1 139 ARG H 1 140 GLY H . . 4.470 4.411 4.218 4.550 0.080 16 0 "[ . 1 . 2]" 1
395 1 150 LEU H 1 172 GLY H . . 3.660 3.156 2.563 3.667 0.007 19 0 "[ . 1 . 2]" 1
396 1 171 VAL MG1 1 172 GLY H . . 4.220 3.130 1.997 3.844 . 0 0 "[ . 1 . 2]" 1
397 1 265 GLY H 1 267 ASN H . . 4.680 4.515 4.319 4.751 0.071 13 0 "[ . 1 . 2]" 1
398 1 196 GLN H 1 204 THR H . . 4.080 3.880 3.380 4.216 0.136 4 0 "[ . 1 . 2]" 1
399 1 29 LEU H 1 45 GLY H . . 3.450 3.128 2.662 3.477 0.027 15 0 "[ . 1 . 2]" 1
400 1 234 SER H 1 246 GLY H . . 4.230 3.597 2.768 4.434 0.204 12 0 "[ . 1 . 2]" 1
401 1 56 GLY H 1 57 SER H . . 4.500 4.183 3.599 4.494 . 0 0 "[ . 1 . 2]" 1
402 1 146 TYR H 1 148 GLY H . . 4.990 4.786 3.980 5.142 0.152 6 0 "[ . 1 . 2]" 1
403 1 208 LEU H 1 220 GLY H . . 5.220 4.946 4.649 5.292 0.072 11 0 "[ . 1 . 2]" 1
404 1 134 ALA H 1 135 GLY H . . 2.770 2.559 1.906 2.846 0.076 4 0 "[ . 1 . 2]" 1
405 1 6 THR H 1 7 TYR H . . 3.680 2.450 1.903 3.670 . 0 0 "[ . 1 . 2]" 1
406 1 192 GLY H 1 209 ALA H . . 5.080 5.023 4.617 5.175 0.095 7 0 "[ . 1 . 2]" 1
407 1 180 LEU MD2 1 194 ILE MD . . 4.250 2.974 1.814 4.453 0.203 4 0 "[ . 1 . 2]" 1
408 1 237 VAL MG2 1 243 ILE MD . . 5.440 4.119 3.382 5.497 0.057 2 0 "[ . 1 . 2]" 1
409 1 123 ILE MD 1 142 LEU MD2 . . 5.030 2.866 1.823 4.120 . 0 0 "[ . 1 . 2]" 1
410 1 237 VAL MG1 1 243 ILE MD . . 5.440 4.119 3.140 5.563 0.123 3 0 "[ . 1 . 2]" 1
411 1 69 LEU MD2 1 87 VAL MG2 . . 4.450 3.000 1.801 4.680 0.230 12 0 "[ . 1 . 2]" 1
412 1 69 LEU MD1 1 87 VAL MG2 . . 4.450 2.917 1.799 4.824 0.374 10 0 "[ . 1 . 2]" 1
413 1 69 LEU MD2 1 87 VAL MG1 . . 4.450 3.648 1.836 4.591 0.141 1 0 "[ . 1 . 2]" 1
414 1 263 LEU MD2 1 268 VAL QG . . 4.110 3.436 2.265 3.769 . 0 0 "[ . 1 . 2]" 1
415 1 243 ILE MD 1 268 VAL QG . . 5.250 4.024 2.724 4.958 . 0 0 "[ . 1 . 2]" 1
416 1 243 ILE MD 1 263 LEU MD1 . . 4.900 4.228 2.885 4.886 . 0 0 "[ . 1 . 2]" 1
417 1 263 LEU MD1 1 268 VAL QG . . 4.110 1.907 1.633 3.167 . 0 0 "[ . 1 . 2]" 1
418 1 243 ILE MD 1 263 LEU MD2 . . 4.900 4.602 3.397 4.943 0.043 8 0 "[ . 1 . 2]" 1
419 1 69 LEU MD1 1 87 VAL MG1 . . 4.450 3.203 1.842 4.722 0.272 10 0 "[ . 1 . 2]" 1
420 1 180 LEU MD1 1 194 ILE MD . . 4.250 3.532 1.906 4.308 0.058 14 0 "[ . 1 . 2]" 1
421 1 242 LEU MD2 1 262 LEU MD2 . . 4.220 2.359 1.783 4.224 0.004 9 0 "[ . 1 . 2]" 1
422 1 243 ILE MD 1 262 LEU MD2 . . 5.500 4.863 4.200 5.399 . 0 0 "[ . 1 . 2]" 1
423 1 142 LEU MD1 1 144 LEU MD1 . . 4.060 3.271 1.859 4.067 0.007 10 0 "[ . 1 . 2]" 1
424 1 142 LEU MD1 1 144 LEU MD2 . . 4.060 3.549 2.261 4.174 0.114 20 0 "[ . 1 . 2]" 1
425 1 142 LEU MD2 1 144 LEU MD1 . . 4.060 2.542 1.868 4.064 0.004 18 0 "[ . 1 . 2]" 1
426 1 123 ILE MD 1 125 LEU MD1 . . 4.950 3.586 2.478 4.982 0.032 17 0 "[ . 1 . 2]" 1
427 1 123 ILE MD 1 125 LEU MD2 . . 4.950 4.033 2.123 5.001 0.051 3 0 "[ . 1 . 2]" 1
428 1 142 LEU MD2 1 144 LEU MD2 . . 4.060 2.381 1.841 4.093 0.033 8 0 "[ . 1 . 2]" 1
429 1 123 ILE MD 1 144 LEU MD2 . . 4.660 3.716 2.042 4.681 0.021 13 0 "[ . 1 . 2]" 1
430 1 133 ILE MD 1 134 ALA H . . 3.790 3.463 1.990 4.276 0.486 17 0 "[ . 1 . 2]" 1
431 1 227 ILE MD 1 231 ALA H . . 5.600 5.073 4.007 5.627 0.027 18 0 "[ . 1 . 2]" 1
432 1 123 ILE MD 1 124 ASN H . . 4.420 3.312 1.969 4.182 . 0 0 "[ . 1 . 2]" 1
433 1 184 VAL MG2 1 185 ASN H . . 4.340 3.592 2.130 4.026 . 0 0 "[ . 1 . 2]" 1
434 1 237 VAL H 1 237 VAL MG1 . . 3.920 3.504 2.140 3.962 0.042 12 0 "[ . 1 . 2]" 1
435 1 206 VAL H 1 206 VAL MG2 . . 4.020 3.736 2.074 3.956 . 0 0 "[ . 1 . 2]" 1
436 1 171 VAL MG2 1 172 GLY H . . 4.220 3.030 1.945 4.167 . 0 0 "[ . 1 . 2]" 1
437 1 265 GLY H 1 268 VAL QG . . 4.870 4.252 3.394 4.702 . 0 0 "[ . 1 . 2]" 1
438 1 54 VAL H 1 54 VAL MG2 . . 3.150 2.616 2.075 3.794 0.644 8 1 "[ . + 1 . 2]" 1
439 1 54 VAL MG2 1 55 THR H . . 4.350 3.973 2.074 4.238 . 0 0 "[ . 1 . 2]" 1
440 1 263 LEU MD1 1 274 LYS H . . 4.700 3.424 2.817 4.833 0.133 13 0 "[ . 1 . 2]" 1
441 1 263 LEU MD1 1 264 ASP H . . 5.170 3.471 3.096 4.853 . 0 0 "[ . 1 . 2]" 1
442 1 180 LEU MD2 1 181 HIS H . . 3.860 2.682 1.881 4.264 0.404 4 0 "[ . 1 . 2]" 1
443 1 180 LEU MD1 1 181 HIS H . . 3.860 2.928 1.841 4.063 0.203 11 0 "[ . 1 . 2]" 1
444 1 238 ASN H 1 242 LEU MD1 . . 5.210 3.845 2.695 5.308 0.098 2 0 "[ . 1 . 2]" 1
445 1 142 LEU MD1 1 143 VAL H . . 4.440 3.754 1.984 4.756 0.316 20 0 "[ . 1 . 2]" 1
446 1 142 LEU MD2 1 143 VAL H . . 4.440 3.541 2.024 4.473 0.033 6 0 "[ . 1 . 2]" 1
447 1 208 LEU MD1 1 209 ALA H . . 5.410 4.000 2.794 4.979 . 0 0 "[ . 1 . 2]" 1
448 1 125 LEU H 1 125 LEU MD1 . . 4.750 4.212 3.627 4.675 . 0 0 "[ . 1 . 2]" 1
449 1 125 LEU H 1 125 LEU MD2 . . 4.750 4.210 3.489 4.543 . 0 0 "[ . 1 . 2]" 1
450 1 42 THR H 1 58 LEU MD2 . . 4.390 4.186 2.483 4.428 0.038 3 0 "[ . 1 . 2]" 1
451 1 192 GLY H 1 208 LEU MD2 . . 4.380 3.716 2.353 4.421 0.041 6 0 "[ . 1 . 2]" 1
452 1 58 LEU H 1 58 LEU MD1 . . 4.890 4.221 3.968 4.391 . 0 0 "[ . 1 . 2]" 1
453 1 75 TRP HE1 1 81 LEU MD2 . . 4.280 2.724 1.868 4.515 0.235 14 0 "[ . 1 . 2]" 1
454 1 81 LEU H 1 81 LEU MD2 . . 4.470 2.888 1.781 4.527 0.057 12 0 "[ . 1 . 2]" 1
455 1 7 TYR H 1 10 LEU QD . . 4.210 4.155 3.881 4.348 0.138 7 0 "[ . 1 . 2]" 1
456 1 7 TYR H 1 150 LEU QD . . 4.720 3.659 2.976 4.742 0.022 20 0 "[ . 1 . 2]" 1
457 1 8 ALA H 1 10 LEU QD . . 5.260 4.539 3.909 5.048 . 0 0 "[ . 1 . 2]" 1
458 1 8 ALA H 1 150 LEU QD . . 4.970 4.855 4.359 5.032 0.062 20 0 "[ . 1 . 2]" 1
459 1 9 ASP H 1 10 LEU QD . . 4.540 4.036 3.154 4.519 . 0 0 "[ . 1 . 2]" 1
460 1 9 ASP H 1 150 LEU QD . . 5.250 4.896 3.606 5.253 0.003 2 0 "[ . 1 . 2]" 1
461 1 10 LEU H 1 10 LEU QD . . 3.630 2.785 1.993 3.425 . 0 0 "[ . 1 . 2]" 1
462 1 10 LEU H 1 150 LEU QD . . 4.990 4.431 2.986 4.955 . 0 0 "[ . 1 . 2]" 1
463 1 10 LEU QD 1 144 LEU H . . 4.740 4.153 3.095 4.756 0.016 12 0 "[ . 1 . 2]" 1
464 1 10 LEU QD 1 150 LEU H . . 3.960 3.929 3.764 4.032 0.072 7 0 "[ . 1 . 2]" 1
465 1 10 LEU QD 1 150 LEU QD . . 3.210 2.099 1.652 2.991 . 0 0 "[ . 1 . 2]" 1
466 1 10 LEU QD 1 151 ALA H . . 4.040 3.290 1.938 4.032 . 0 0 "[ . 1 . 2]" 1
467 1 10 LEU QD 1 152 GLY H . . 4.160 3.359 2.460 4.200 0.040 8 0 "[ . 1 . 2]" 1
468 1 35 SER H 1 39 LEU QD . . 4.330 3.020 1.849 4.023 . 0 0 "[ . 1 . 2]" 1
469 1 38 GLY H 1 39 LEU QD . . 5.310 3.832 2.014 5.247 . 0 0 "[ . 1 . 2]" 1
470 1 39 LEU QD 1 40 GLU H . . 5.200 2.736 2.114 3.588 . 0 0 "[ . 1 . 2]" 1
471 1 39 LEU QD 1 61 LYS H . . 4.050 3.697 3.065 4.125 0.075 1 0 "[ . 1 . 2]" 1
472 1 42 THR H 1 58 LEU QD . . 3.730 3.269 2.361 3.797 0.067 3 0 "[ . 1 . 2]" 1
473 1 43 SER H 1 58 LEU QD . . 4.560 3.885 3.100 4.582 0.022 3 0 "[ . 1 . 2]" 1
474 1 44 SER H 1 58 LEU QD . . 4.560 3.740 3.119 4.606 0.046 3 0 "[ . 1 . 2]" 1
475 1 46 SER H 1 54 VAL QG . . 3.600 3.484 3.131 3.654 0.054 17 0 "[ . 1 . 2]" 1
476 1 48 ASN H 1 54 VAL QG . . 3.790 3.182 1.924 3.772 . 0 0 "[ . 1 . 2]" 1
477 1 53 LYS H 1 54 VAL QG . . 3.890 3.372 2.270 3.881 . 0 0 "[ . 1 . 2]" 1
478 1 54 VAL H 1 54 VAL QG . . 2.650 2.487 1.919 2.650 . 0 0 "[ . 1 . 2]" 1
479 1 54 VAL QG 1 55 THR H . . 2.950 2.428 2.067 2.911 . 0 0 "[ . 1 . 2]" 1
480 1 58 LEU H 1 58 LEU QD . . 4.000 3.674 3.608 3.750 . 0 0 "[ . 1 . 2]" 1
481 1 58 LEU QD 1 59 GLU H . . 2.440 2.126 1.864 2.408 . 0 0 "[ . 1 . 2]" 1
482 1 58 LEU QD 1 60 THR H . . 3.920 3.587 3.251 3.931 0.011 1 0 "[ . 1 . 2]" 1
483 1 68 GLY H 1 69 LEU QD . . 4.310 3.659 2.633 4.421 0.111 18 0 "[ . 1 . 2]" 1
484 1 68 GLY H 1 87 VAL QG . . 4.580 4.254 3.330 4.889 0.309 10 0 "[ . 1 . 2]" 1
485 1 69 LEU H 1 69 LEU QD . . 3.200 2.469 1.738 3.399 0.199 12 0 "[ . 1 . 2]" 1
486 1 69 LEU QD 1 70 THR H . . 4.600 3.672 3.020 4.409 . 0 0 "[ . 1 . 2]" 1
487 1 69 LEU QD 1 87 VAL QG . . 3.130 2.080 1.648 3.666 0.536 10 2 "[ . + - . 2]" 1
488 1 75 TRP HE1 1 81 LEU QD . . 3.050 2.235 1.815 4.134 1.084 15 1 "[ . 1 + 2]" 1
489 1 76 ASN H 1 81 LEU QD . . 4.460 4.076 3.511 5.375 0.915 15 1 "[ . 1 + 2]" 1
490 1 81 LEU H 1 81 LEU QD . . 3.010 2.509 1.647 2.917 . 0 0 "[ . 1 . 2]" 1
491 1 85 ILE MD 1 87 VAL QG . . 4.850 2.891 1.749 4.130 . 0 0 "[ . 1 . 2]" 1
492 1 85 ILE MD 1 97 LEU QD . . 4.520 3.559 2.386 4.688 0.168 18 0 "[ . 1 . 2]" 1
493 1 87 VAL H 1 87 VAL QG . . 2.800 2.290 1.878 3.159 0.359 12 0 "[ . 1 . 2]" 1
494 1 87 VAL H 1 97 LEU QD . . 4.020 3.611 2.775 4.077 0.057 20 0 "[ . 1 . 2]" 1
495 1 87 VAL QG 1 97 LEU H . . 3.500 3.066 1.972 3.568 0.068 20 0 "[ . 1 . 2]" 1
496 1 87 VAL QG 1 97 LEU QD . . 2.830 2.384 1.791 2.886 0.056 12 0 "[ . 1 . 2]" 1
497 1 97 LEU H 1 97 LEU QD . . 4.190 3.676 3.048 3.957 . 0 0 "[ . 1 . 2]" 1
498 1 97 LEU QD 1 98 THR H . . 3.070 2.628 2.017 3.401 0.331 20 0 "[ . 1 . 2]" 1
499 1 97 LEU QD 1 114 ILE MD . . 4.420 2.282 1.640 3.250 . 0 0 "[ . 1 . 2]" 1
500 1 97 LEU QD 1 115 LYS H . . 4.420 3.913 2.674 4.442 0.022 18 0 "[ . 1 . 2]" 1
501 1 123 ILE MD 1 125 LEU QD . . 4.450 2.850 2.119 4.228 . 0 0 "[ . 1 . 2]" 1
502 1 123 ILE MD 1 142 LEU QD . . 4.270 2.201 1.715 3.878 . 0 0 "[ . 1 . 2]" 1
503 1 123 ILE MD 1 144 LEU QD . . 3.460 2.583 1.879 3.480 0.020 17 0 "[ . 1 . 2]" 1
504 1 124 ASN H 1 144 LEU QD . . 3.640 3.403 2.542 3.774 0.134 4 0 "[ . 1 . 2]" 1
505 1 125 LEU H 1 125 LEU QD . . 3.920 3.731 3.169 3.932 0.012 11 0 "[ . 1 . 2]" 1
506 1 125 LEU H 1 142 LEU QD . . 4.950 4.557 3.732 5.493 0.543 20 1 "[ . 1 . +]" 1
507 1 125 LEU QD 1 126 GLY H . . 3.260 2.734 1.948 3.294 0.034 15 0 "[ . 1 . 2]" 1
508 1 125 LEU QD 1 127 CYS H . . 3.530 3.361 2.413 3.577 0.047 11 0 "[ . 1 . 2]" 1
509 1 125 LEU QD 1 142 LEU QD . . 3.070 2.239 1.742 3.128 0.058 11 0 "[ . 1 . 2]" 1
510 1 125 LEU QD 1 144 LEU QD . . 4.700 4.575 3.747 4.789 0.089 11 0 "[ . 1 . 2]" 1
511 1 126 GLY H 1 142 LEU QD . . 5.170 4.113 2.571 5.132 . 0 0 "[ . 1 . 2]" 1
512 1 142 LEU H 1 142 LEU QD . . 4.480 3.627 1.697 4.004 . 0 0 "[ . 1 . 2]" 1
513 1 142 LEU QD 1 143 VAL H . . 3.460 2.891 1.982 3.508 0.048 20 0 "[ . 1 . 2]" 1
514 1 142 LEU QD 1 144 LEU QD . . 3.170 1.930 1.676 2.903 . 0 0 "[ . 1 . 2]" 1
515 1 144 LEU H 1 144 LEU QD . . 3.410 2.366 1.870 3.377 . 0 0 "[ . 1 . 2]" 1
516 1 144 LEU QD 1 145 GLY H . . 4.640 3.743 3.238 4.420 . 0 0 "[ . 1 . 2]" 1
517 1 144 LEU QD 1 151 ALA H . . 3.730 3.748 3.454 3.964 0.234 20 0 "[ . 1 . 2]" 1
518 1 144 LEU QD 1 152 GLY H . . 4.590 4.046 3.025 4.741 0.151 20 0 "[ . 1 . 2]" 1
519 1 146 TYR H 1 150 LEU QD . . 4.120 3.340 1.936 4.320 0.200 8 0 "[ . 1 . 2]" 1
520 1 149 TRP H 1 150 LEU QD . . 4.650 3.979 2.798 4.650 . 0 0 "[ . 1 . 2]" 1
521 1 150 LEU H 1 150 LEU QD . . 3.760 2.718 1.934 3.638 . 0 0 "[ . 1 . 2]" 1
522 1 150 LEU H 1 171 VAL QG . . 4.400 3.842 3.252 4.434 0.034 7 0 "[ . 1 . 2]" 1
523 1 150 LEU QD 1 172 GLY H . . 4.110 3.975 2.924 4.187 0.077 14 0 "[ . 1 . 2]" 1
524 1 150 LEU QD 1 173 TYR H . . 4.950 4.369 3.799 4.983 0.033 6 0 "[ . 1 . 2]" 1
525 1 152 GLY H 1 171 VAL QG . . 4.310 3.900 2.837 4.350 0.040 8 0 "[ . 1 . 2]" 1
526 1 156 ASN H 1 164 VAL QG . . 3.310 2.497 1.631 3.365 0.055 20 0 "[ . 1 . 2]" 1
527 1 157 PHE H 1 164 VAL QG . . 4.010 3.933 2.993 4.343 0.333 9 0 "[ . 1 . 2]" 1
528 1 158 GLU H 1 164 VAL QG . . 3.960 3.493 1.920 4.225 0.265 16 0 "[ . 1 . 2]" 1
529 1 164 VAL H 1 164 VAL QG . . 2.790 2.138 1.824 2.372 . 0 0 "[ . 1 . 2]" 1
530 1 164 VAL QG 1 165 THR H . . 3.230 2.659 2.057 3.270 0.040 8 0 "[ . 1 . 2]" 1
531 1 164 VAL QG 1 166 GLN H . . 3.150 2.841 1.866 3.230 0.080 2 0 "[ . 1 . 2]" 1
532 1 164 VAL QG 1 167 SER H . . 4.970 4.223 3.564 4.996 0.026 8 0 "[ . 1 . 2]" 1
533 1 169 PHE H 1 184 VAL QG . . 3.320 3.134 2.185 3.383 0.063 14 0 "[ . 1 . 2]" 1
534 1 171 VAL H 1 171 VAL QG . . 2.810 2.578 2.285 2.900 0.090 20 0 "[ . 1 . 2]" 1
535 1 171 VAL QG 1 172 GLY H . . 3.120 2.347 1.931 3.153 0.033 7 0 "[ . 1 . 2]" 1
536 1 171 VAL QG 1 180 LEU QD . . 3.560 3.572 3.374 3.717 0.157 8 0 "[ . 1 . 2]" 1
537 1 171 VAL QG 1 184 VAL QG . . 5.000 3.924 3.379 4.429 . 0 0 "[ . 1 . 2]" 1
538 1 173 TYR H 1 180 LEU QD . . 3.190 2.993 2.351 3.330 0.140 8 0 "[ . 1 . 2]" 1
539 1 180 LEU H 1 180 LEU QD . . 3.620 3.615 3.478 3.855 0.235 4 0 "[ . 1 . 2]" 1
540 1 180 LEU QD 1 181 HIS H . . 3.380 2.311 1.839 3.189 . 0 0 "[ . 1 . 2]" 1
541 1 180 LEU QD 1 193 SER H . . 3.620 3.302 2.189 3.749 0.129 7 0 "[ . 1 . 2]" 1
542 1 180 LEU QD 1 194 ILE MD . . 3.370 2.388 1.812 3.044 . 0 0 "[ . 1 . 2]" 1
543 1 180 LEU QD 1 195 TYR H . . 5.290 4.545 3.054 5.325 0.035 20 0 "[ . 1 . 2]" 1
544 1 183 ASN H 1 184 VAL QG . . 4.330 3.993 3.537 4.491 0.161 1 0 "[ . 1 . 2]" 1
545 1 184 VAL QG 1 185 ASN H . . 3.250 2.483 2.032 3.319 0.069 20 0 "[ . 1 . 2]" 1
546 1 184 VAL QG 1 186 ASP H . . 4.180 3.802 3.022 4.294 0.114 11 0 "[ . 1 . 2]" 1
547 1 184 VAL QG 1 187 GLY H . . 4.180 2.900 1.848 4.790 0.610 11 1 "[ . 1+ . 2]" 1
548 1 184 VAL QG 1 188 THR H . . 4.310 3.739 2.657 4.517 0.207 13 0 "[ . 1 . 2]" 1
549 1 184 VAL QG 1 189 GLU H . . 4.300 3.817 2.282 4.434 0.134 11 0 "[ . 1 . 2]" 1
550 1 184 VAL QG 1 191 GLY H . . 3.760 3.464 2.389 3.959 0.199 11 0 "[ . 1 . 2]" 1
551 1 192 GLY H 1 208 LEU QD . . 3.650 2.663 1.826 3.670 0.020 13 0 "[ . 1 . 2]" 1
552 1 193 SER H 1 208 LEU QD . . 4.960 4.167 2.930 5.116 0.156 17 0 "[ . 1 . 2]" 1
553 1 194 ILE H 1 206 VAL QG . . 2.930 2.645 1.909 3.263 0.333 11 0 "[ . 1 . 2]" 1
554 1 194 ILE MD 1 206 VAL QG . . 3.110 2.658 2.022 3.202 0.092 9 0 "[ . 1 . 2]" 1
555 1 194 ILE MD 1 208 LEU QD . . 5.440 2.794 1.820 4.332 . 0 0 "[ . 1 . 2]" 1
556 1 195 TYR H 1 206 VAL QG . . 5.440 4.683 4.086 5.116 . 0 0 "[ . 1 . 2]" 1
557 1 205 ALA H 1 206 VAL QG . . 4.920 4.777 4.055 4.945 0.025 5 0 "[ . 1 . 2]" 1
558 1 206 VAL H 1 206 VAL QG . . 2.900 2.140 1.910 2.848 . 0 0 "[ . 1 . 2]" 1
559 1 206 VAL QG 1 207 ASN H . . 2.410 2.209 1.956 2.408 . 0 0 "[ . 1 . 2]" 1
560 1 206 VAL QG 1 208 LEU H . . 4.670 4.203 3.909 4.499 . 0 0 "[ . 1 . 2]" 1
561 1 206 VAL QG 1 208 LEU QD . . 5.230 2.982 1.912 4.249 . 0 0 "[ . 1 . 2]" 1
562 1 206 VAL QG 1 220 GLY H . . 4.160 3.751 3.150 4.174 0.014 4 0 "[ . 1 . 2]" 1
563 1 206 VAL QG 1 222 ALA H . . 5.190 4.384 3.589 4.865 . 0 0 "[ . 1 . 2]" 1
564 1 207 ASN H 1 208 LEU QD . . 5.290 4.611 3.211 5.539 0.249 17 0 "[ . 1 . 2]" 1
565 1 208 LEU QD 1 209 ALA H . . 5.240 3.456 1.885 4.452 . 0 0 "[ . 1 . 2]" 1
566 1 208 LEU QD 1 210 TRP H . . 5.000 3.978 2.799 5.008 0.008 9 0 "[ . 1 . 2]" 1
567 1 221 ILE H 1 237 VAL QG . . 3.660 3.421 2.270 3.824 0.164 4 0 "[ . 1 . 2]" 1
568 1 221 ILE MD 1 237 VAL QG . . 3.300 2.357 1.897 2.991 . 0 0 "[ . 1 . 2]" 1
569 1 237 VAL H 1 237 VAL QG . . 3.180 2.787 2.127 3.203 0.023 14 0 "[ . 1 . 2]" 1
570 1 237 VAL QG 1 238 ASN H . . 3.250 2.359 1.980 3.263 0.013 2 0 "[ . 1 . 2]" 1
571 1 237 VAL QG 1 240 SER H . . 4.120 3.043 2.335 4.172 0.052 14 0 "[ . 1 . 2]" 1
572 1 237 VAL QG 1 241 SER H . . 4.500 4.007 3.301 4.821 0.321 9 0 "[ . 1 . 2]" 1
573 1 237 VAL QG 1 242 LEU H . . 4.150 3.757 3.251 4.387 0.237 2 0 "[ . 1 . 2]" 1
574 1 237 VAL QG 1 243 ILE H . . 5.130 4.211 3.780 4.713 . 0 0 "[ . 1 . 2]" 1
575 1 237 VAL QG 1 243 ILE MD . . 4.950 3.560 2.892 4.295 . 0 0 "[ . 1 . 2]" 1
576 1 237 VAL QG 1 244 GLY H . . 3.650 2.852 1.903 3.807 0.157 12 0 "[ . 1 . 2]" 1
577 1 238 ASN H 1 242 LEU QD . . 3.840 3.485 2.639 3.976 0.136 19 0 "[ . 1 . 2]" 1
578 1 242 LEU QD 1 243 ILE H . . 3.440 2.136 1.819 3.266 . 0 0 "[ . 1 . 2]" 1
579 1 242 LEU QD 1 244 GLY H . . 4.800 3.499 2.537 4.636 . 0 0 "[ . 1 . 2]" 1
580 1 242 LEU QD 1 262 LEU QD . . 2.280 1.736 1.539 2.043 . 0 0 "[ . 1 . 2]" 1
581 1 242 LEU QD 1 263 LEU H . . 3.650 3.259 2.738 3.715 0.065 17 0 "[ . 1 . 2]" 1
582 1 242 LEU QD 1 263 LEU QD . . 4.950 4.412 3.825 4.799 . 0 0 "[ . 1 . 2]" 1
583 1 242 LEU QD 1 264 ASP H . . 4.000 3.764 3.351 4.158 0.158 7 0 "[ . 1 . 2]" 1
584 1 242 LEU QD 1 265 GLY H . . 3.250 3.085 1.892 3.468 0.218 7 0 "[ . 1 . 2]" 1
585 1 242 LEU QD 1 266 LYS H . . 4.630 4.512 3.968 4.798 0.168 13 0 "[ . 1 . 2]" 1
586 1 243 ILE H 1 262 LEU QD . . 3.530 3.435 3.176 3.682 0.152 14 0 "[ . 1 . 2]" 1
587 1 243 ILE MD 1 262 LEU QD . . 4.510 4.296 3.784 4.613 0.103 13 0 "[ . 1 . 2]" 1
588 1 243 ILE MD 1 263 LEU QD . . 4.340 3.851 2.838 4.354 0.014 15 0 "[ . 1 . 2]" 1
589 1 244 GLY H 1 262 LEU QD . . 4.070 3.937 3.536 4.372 0.302 5 0 "[ . 1 . 2]" 1
590 1 262 LEU H 1 263 LEU QD . . 3.740 3.251 2.747 3.947 0.207 13 0 "[ . 1 . 2]" 1
591 1 262 LEU QD 1 263 LEU H . . 2.980 2.151 1.899 2.535 . 0 0 "[ . 1 . 2]" 1
592 1 262 LEU QD 1 263 LEU QD . . 3.740 3.432 3.254 3.864 0.124 13 0 "[ . 1 . 2]" 1
593 1 262 LEU QD 1 264 ASP H . . 4.130 3.035 2.420 3.618 . 0 0 "[ . 1 . 2]" 1
594 1 262 LEU QD 1 265 GLY H . . 5.250 4.707 4.300 5.274 0.024 13 0 "[ . 1 . 2]" 1
595 1 262 LEU QD 1 268 VAL QG . . 4.360 3.411 1.924 4.046 . 0 0 "[ . 1 . 2]" 1
596 1 262 LEU QD 1 274 LYS H . . 4.090 3.695 2.802 4.200 0.110 5 0 "[ . 1 . 2]" 1
597 1 263 LEU H 1 263 LEU QD . . 3.070 2.660 2.307 3.095 0.025 19 0 "[ . 1 . 2]" 1
598 1 263 LEU QD 1 264 ASP H . . 3.780 3.324 3.039 3.917 0.137 13 0 "[ . 1 . 2]" 1
599 1 263 LEU QD 1 268 VAL H . . 4.050 3.700 3.060 4.338 0.288 13 0 "[ . 1 . 2]" 1
600 1 263 LEU QD 1 268 VAL QG . . 3.590 1.858 1.626 2.991 . 0 0 "[ . 1 . 2]" 1
601 1 263 LEU QD 1 274 LYS H . . 3.670 2.878 2.272 3.670 0.000 13 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 278
_Distance_constraint_stats_list.Viol_count 5341
_Distance_constraint_stats_list.Viol_total 20124.180
_Distance_constraint_stats_list.Viol_max 1.670
_Distance_constraint_stats_list.Viol_rms 0.1625
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1810
_Distance_constraint_stats_list.Viol_average_violations_only 0.1884
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 26 LEU 15.654 0.518 17 1 "[ . 1 . + 2]"
1 27 ILE 11.664 0.391 15 0 "[ . 1 . 2]"
1 28 LYS 12.097 0.343 11 0 "[ . 1 . 2]"
1 29 LEU 11.481 0.341 15 0 "[ . 1 . 2]"
1 30 ASP 9.000 0.425 11 0 "[ . 1 . 2]"
1 31 LEU 12.641 0.341 15 0 "[ . 1 . 2]"
1 33 THR 13.835 1.670 3 1 "[ + . 1 . 2]"
1 40 GLU 14.196 0.616 3 1 "[ + . 1 . 2]"
1 41 PHE 13.835 1.670 3 1 "[ + . 1 . 2]"
1 42 THR 12.471 0.484 3 0 "[ . 1 . 2]"
1 43 SER 12.641 0.341 15 0 "[ . 1 . 2]"
1 44 SER 13.777 0.335 15 0 "[ . 1 . 2]"
1 45 GLY 11.481 0.341 15 0 "[ . 1 . 2]"
1 46 SER 12.851 0.813 17 2 "[ . 1 - + 2]"
1 47 ALA 11.664 0.391 15 0 "[ . 1 . 2]"
1 55 THR 12.851 0.813 17 2 "[ . 1 - + 2]"
1 57 SER 13.777 0.335 15 0 "[ . 1 . 2]"
1 58 LEU 16.326 0.702 14 3 "[*- . 1 +. 2]"
1 59 GLU 12.471 0.484 3 0 "[ . 1 . 2]"
1 60 THR 15.906 0.660 2 3 "[-+ . 1 *. 2]"
1 61 LYS 14.196 0.616 3 1 "[ + . 1 . 2]"
1 62 TYR 13.455 0.349 15 0 "[ . 1 . 2]"
1 68 GLY 17.418 0.969 12 2 "[ . - + . 2]"
1 70 THR 18.108 1.643 10 2 "[ . + * . 2]"
1 71 PHE 13.455 0.349 15 0 "[ . 1 . 2]"
1 72 THR 13.154 0.336 15 0 "[ . 1 . 2]"
1 73 GLU 15.906 0.660 2 3 "[-+ . 1 *. 2]"
1 74 LYS 13.778 1.099 15 1 "[ . 1 + 2]"
1 75 TRP 16.326 0.702 14 3 "[*- . 1 +. 2]"
1 76 ASN 19.552 1.663 15 2 "[ . 1 - + 2]"
1 80 THR 19.552 1.663 15 2 "[ . 1 - + 2]"
1 81 LEU 18.195 1.600 19 1 "[ . 1 . +2]"
1 82 GLY 13.778 1.099 15 1 "[ . 1 + 2]"
1 83 THR 17.511 1.190 18 4 "[ * 1- . +*2]"
1 84 GLU 13.154 0.336 15 0 "[ . 1 . 2]"
1 85 ILE 18.715 1.525 20 4 "[ * 1- . * +]"
1 86 THR 18.108 1.643 10 2 "[ . + * . 2]"
1 87 VAL 14.038 0.631 20 1 "[ . 1 . +]"
1 88 GLU 17.418 0.969 12 2 "[ . - + . 2]"
1 96 LYS 16.427 0.370 20 0 "[ . 1 . 2]"
1 97 LEU 14.038 0.631 20 1 "[ . 1 . +]"
1 98 THR 9.714 0.800 20 1 "[ . 1 . +]"
1 99 PHE 18.715 1.525 20 4 "[ * 1- . * +]"
1 100 ASP 14.607 0.627 20 1 "[ . 1 . +]"
1 101 SER 17.511 1.190 18 4 "[ * 1- . +*2]"
1 102 SER 17.238 1.439 6 2 "[ .+ 1 . - 2]"
1 103 PHE 18.195 1.600 19 1 "[ . 1 . +2]"
1 104 SER 10.546 0.997 6 2 "[ .+ 1 . * 2]"
1 109 LYS 10.546 0.997 6 2 "[ .+ 1 . * 2]"
1 111 ASN 17.238 1.439 6 2 "[ .+ 1 . - 2]"
1 112 ALA 7.663 0.341 17 0 "[ . 1 . 2]"
1 113 LYS 14.607 0.627 20 1 "[ . 1 . +]"
1 114 ILE 13.044 0.333 17 0 "[ . 1 . 2]"
1 115 LYS 9.714 0.800 20 1 "[ . 1 . +]"
1 116 THR 10.076 0.313 16 0 "[ . 1 . 2]"
1 117 GLY 16.427 0.370 20 0 "[ . 1 . 2]"
1 118 TYR 13.878 1.021 16 1 "[ . 1 .+ 2]"
1 124 ASN 14.501 0.485 20 0 "[ . 1 . 2]"
1 125 LEU 13.878 1.021 16 1 "[ . 1 .+ 2]"
1 126 GLY 12.027 0.387 20 0 "[ . 1 . 2]"
1 127 CYS 10.076 0.313 16 0 "[ . 1 . 2]"
1 128 ASP 11.063 1.026 17 1 "[ . 1 . + 2]"
1 129 MET 13.044 0.333 17 0 "[ . 1 . 2]"
1 130 ASP 16.159 1.014 17 1 "[ . 1 . + 2]"
1 131 PHE 7.663 0.341 17 0 "[ . 1 . 2]"
1 137 SER 16.159 1.014 17 1 "[ . 1 . + 2]"
1 138 ILE 24.039 1.511 18 4 "[ . *1* . + -]"
1 139 ARG 11.063 1.026 17 1 "[ . 1 . + 2]"
1 140 GLY 21.053 1.026 19 5 "[ . *1* . -+*]"
1 141 ALA 12.027 0.387 20 0 "[ . 1 . 2]"
1 142 LEU 13.281 1.060 19 1 "[ . 1 . +2]"
1 143 VAL 14.501 0.485 20 0 "[ . 1 . 2]"
1 144 LEU 11.402 0.313 6 0 "[ . 1 . 2]"
1 150 LEU 11.780 0.343 8 0 "[ . 1 . 2]"
1 151 ALA 11.402 0.313 6 0 "[ . 1 . 2]"
1 152 GLY 9.721 0.278 13 0 "[ . 1 . 2]"
1 153 TYR 13.281 1.060 19 1 "[ . 1 . +2]"
1 154 GLN 14.341 0.404 20 0 "[ . 1 . 2]"
1 155 MET 21.053 1.026 19 5 "[ . *1* . -+*]"
1 157 PHE 24.039 1.511 18 4 "[ . *1* . + -]"
1 168 ASN 14.341 0.404 20 0 "[ . 1 . 2]"
1 169 PHE 12.147 0.323 19 0 "[ . 1 . 2]"
1 170 ALA 9.721 0.278 13 0 "[ . 1 . 2]"
1 171 VAL 10.429 0.323 8 0 "[ . 1 . 2]"
1 172 GLY 11.780 0.343 8 0 "[ . 1 . 2]"
1 173 TYR 14.650 1.069 6 4 "[ .+ - 1 **. 2]"
1 179 GLN 15.128 0.408 4 0 "[ . 1 . 2]"
1 180 LEU 14.650 1.069 6 4 "[ .+ - 1 **. 2]"
1 181 HIS 10.260 0.338 8 0 "[ . 1 . 2]"
1 182 THR 10.429 0.323 8 0 "[ . 1 . 2]"
1 183 ASN 14.022 0.862 7 2 "[ . + 1* . 2]"
1 184 VAL 12.147 0.323 19 0 "[ . 1 . 2]"
1 190 PHE 13.436 1.616 7 1 "[ . + 1 . 2]"
1 191 GLY 14.022 0.862 7 2 "[ . + 1* . 2]"
1 192 GLY 13.303 0.421 7 0 "[ . 1 . 2]"
1 193 SER 10.260 0.338 8 0 "[ . 1 . 2]"
1 194 ILE 11.702 1.054 4 1 "[ +. 1 . 2]"
1 195 TYR 15.128 0.408 4 0 "[ . 1 . 2]"
1 196 GLN 16.109 1.076 4 1 "[ +. 1 . 2]"
1 203 GLU 15.488 0.354 8 0 "[ . 1 . 2]"
1 204 THR 16.109 1.076 4 1 "[ +. 1 . 2]"
1 205 ALA 11.413 0.304 4 0 "[ . 1 . 2]"
1 206 VAL 11.702 1.054 4 1 "[ +. 1 . 2]"
1 207 ASN 14.972 0.650 4 1 "[ +. 1 . 2]"
1 208 LEU 13.303 0.421 7 0 "[ . 1 . 2]"
1 209 ALA 16.150 0.667 4 3 "[ +. * 1- . 2]"
1 210 TRP 13.436 1.616 7 1 "[ . + 1 . 2]"
1 218 ARG 16.150 0.667 4 3 "[ +. * 1- . 2]"
1 219 PHE 6.517 0.413 11 0 "[ . 1 . 2]"
1 220 GLY 14.972 0.650 4 1 "[ +. 1 . 2]"
1 221 ILE 10.745 0.353 16 0 "[ . 1 . 2]"
1 222 ALA 11.413 0.304 4 0 "[ . 1 . 2]"
1 223 ALA 12.671 0.376 13 0 "[ . 1 . 2]"
1 224 LYS 15.488 0.354 8 0 "[ . 1 . 2]"
1 225 TYR 13.320 0.634 13 1 "[ . 1 + . 2]"
1 232 CYS 20.617 1.539 8 5 "[ - + 1 **.* 2]"
1 233 PHE 13.320 0.634 13 1 "[ . 1 + . 2]"
1 234 SER 21.237 1.578 14 6 "[ - * 1 **+.* 2]"
1 235 ALA 12.671 0.376 13 0 "[ . 1 . 2]"
1 236 LYS 10.137 0.839 12 1 "[ . 1 + . 2]"
1 237 VAL 10.745 0.353 16 0 "[ . 1 . 2]"
1 238 ASN 10.123 0.419 12 0 "[ . 1 . 2]"
1 239 ASN 6.517 0.413 11 0 "[ . 1 . 2]"
1 242 LEU 10.123 0.419 12 0 "[ . 1 . 2]"
1 243 ILE 13.550 0.416 7 0 "[ . 1 . 2]"
1 244 GLY 10.137 0.839 12 1 "[ . 1 + . 2]"
1 245 LEU 14.922 0.719 16 2 "[ - 1 .+ 2]"
1 246 GLY 21.237 1.578 14 6 "[ - * 1 **+.* 2]"
1 247 TYR 20.862 1.623 5 2 "[ + 1 .* 2]"
1 248 THR 20.617 1.539 8 5 "[ - + 1 **.* 2]"
1 249 GLN 14.499 0.762 9 1 "[ . +1 . 2]"
1 257 LEU 14.499 0.762 9 1 "[ . +1 . 2]"
1 258 THR 13.011 0.304 5 0 "[ . 1 . 2]"
1 259 LEU 20.862 1.623 5 2 "[ + 1 .* 2]"
1 260 SER 12.048 0.314 17 0 "[ . 1 . 2]"
1 261 ALA 14.922 0.719 16 2 "[ - 1 .+ 2]"
1 262 LEU 14.356 0.531 5 2 "[ + 1 - . 2]"
1 263 LEU 13.550 0.416 7 0 "[ . 1 . 2]"
1 274 LYS 14.356 0.531 5 2 "[ + 1 - . 2]"
1 275 LEU 7.507 0.313 6 0 "[ . 1 . 2]"
1 276 GLY 12.048 0.314 17 0 "[ . 1 . 2]"
1 277 LEU 13.905 0.518 17 1 "[ . 1 . + 2]"
1 278 GLY 13.011 0.304 5 0 "[ . 1 . 2]"
1 279 LEU 15.339 0.425 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 LEU H 1 275 LEU O . . 1.800 1.986 1.775 2.071 0.271 6 0 "[ . 1 . 2]" 2
2 1 26 LEU N 1 275 LEU O . . 2.700 2.888 2.717 3.013 0.313 6 0 "[ . 1 . 2]" 2
3 1 27 ILE H 1 47 ALA O . . 1.800 1.986 1.809 2.115 0.315 15 0 "[ . 1 . 2]" 2
4 1 27 ILE N 1 47 ALA O . . 2.700 2.889 2.770 3.091 0.391 15 0 "[ . 1 . 2]" 2
5 1 28 LYS H 1 277 LEU O . . 1.800 1.955 1.804 2.057 0.257 19 0 "[ . 1 . 2]" 2
6 1 28 LYS N 1 277 LEU O . . 2.700 2.833 2.701 3.007 0.307 9 0 "[ . 1 . 2]" 2
7 1 29 LEU H 1 45 GLY O . . 1.800 1.885 1.793 2.141 0.341 15 0 "[ . 1 . 2]" 2
8 1 29 LEU N 1 45 GLY O . . 2.700 2.784 2.675 2.923 0.223 12 0 "[ . 1 . 2]" 2
9 1 30 ASP H 1 279 LEU O . . 1.800 2.015 1.959 2.225 0.425 11 0 "[ . 1 . 2]" 2
10 1 30 ASP N 1 279 LEU O . . 2.700 2.935 2.792 3.081 0.381 11 0 "[ . 1 . 2]" 2
11 1 31 LEU H 1 43 SER O . . 1.800 1.941 1.789 2.074 0.274 15 0 "[ . 1 . 2]" 2
12 1 31 LEU N 1 43 SER O . . 2.700 2.884 2.739 3.041 0.341 15 0 "[ . 1 . 2]" 2
13 1 33 THR H 1 41 PHE O . . 1.800 1.971 1.788 3.014 1.214 3 1 "[ + . 1 . 2]" 2
14 1 33 THR N 1 41 PHE O . . 2.700 2.897 2.725 3.936 1.236 3 1 "[ + . 1 . 2]" 2
15 1 40 GLU H 1 61 LYS O . . 1.800 1.971 1.787 2.184 0.384 11 0 "[ . 1 . 2]" 2
16 1 40 GLU N 1 61 LYS O . . 2.700 2.883 2.590 3.100 0.400 11 0 "[ . 1 . 2]" 2
17 1 33 THR O 1 41 PHE H . . 1.800 2.018 1.797 3.470 1.670 3 1 "[ + . 1 . 2]" 2
18 1 33 THR O 1 41 PHE N . . 2.700 2.805 2.718 3.040 0.340 3 0 "[ . 1 . 2]" 2
19 1 42 THR H 1 59 GLU O . . 1.800 1.950 1.806 2.284 0.484 3 0 "[ . 1 . 2]" 2
20 1 42 THR N 1 59 GLU O . . 2.700 2.839 2.733 3.034 0.334 3 0 "[ . 1 . 2]" 2
21 1 31 LEU O 1 43 SER H . . 1.800 1.957 1.822 2.085 0.285 3 0 "[ . 1 . 2]" 2
22 1 31 LEU O 1 43 SER N . . 2.700 2.850 2.738 2.952 0.252 20 0 "[ . 1 . 2]" 2
23 1 44 SER H 1 57 SER O . . 1.800 2.012 1.960 2.088 0.288 15 0 "[ . 1 . 2]" 2
24 1 44 SER N 1 57 SER O . . 2.700 2.941 2.757 3.004 0.304 19 0 "[ . 1 . 2]" 2
25 1 29 LEU O 1 45 GLY H . . 1.800 2.000 1.903 2.067 0.267 17 0 "[ . 1 . 2]" 2
26 1 29 LEU O 1 45 GLY N . . 2.700 2.904 2.738 3.021 0.321 11 0 "[ . 1 . 2]" 2
27 1 46 SER H 1 55 THR O . . 1.800 1.940 1.801 2.072 0.272 17 0 "[ . 1 . 2]" 2
28 1 46 SER N 1 55 THR O . . 2.700 2.827 2.745 2.948 0.248 9 0 "[ . 1 . 2]" 2
29 1 27 ILE O 1 47 ALA H . . 1.800 1.900 1.790 1.994 0.194 6 0 "[ . 1 . 2]" 2
30 1 27 ILE O 1 47 ALA N . . 2.700 2.807 2.690 2.941 0.241 13 0 "[ . 1 . 2]" 2
31 1 46 SER O 1 55 THR H . . 1.800 2.021 1.798 2.613 0.813 17 2 "[ . 1 - + 2]" 2
32 1 46 SER O 1 55 THR N . . 2.700 2.847 2.578 2.980 0.280 4 0 "[ . 1 . 2]" 2
33 1 44 SER O 1 57 SER H . . 1.800 1.942 1.812 2.135 0.335 15 0 "[ . 1 . 2]" 2
34 1 44 SER O 1 57 SER N . . 2.700 2.793 2.674 2.962 0.262 12 0 "[ . 1 . 2]" 2
35 1 58 LEU H 1 75 TRP O . . 1.800 2.037 1.994 2.101 0.301 2 0 "[ . 1 . 2]" 2
36 1 58 LEU N 1 75 TRP O . . 2.700 2.964 2.853 3.037 0.337 2 0 "[ . 1 . 2]" 2
37 1 42 THR O 1 59 GLU H . . 1.800 1.981 1.825 2.100 0.300 3 0 "[ . 1 . 2]" 2
38 1 42 THR O 1 59 GLU N . . 2.700 2.853 2.666 2.982 0.282 13 0 "[ . 1 . 2]" 2
39 1 60 THR H 1 73 GLU O . . 1.800 2.050 1.799 2.460 0.660 2 3 "[*+ . 1 -. 2]" 2
40 1 60 THR N 1 73 GLU O . . 2.700 2.953 2.718 3.281 0.581 2 2 "[-+ . 1 . 2]" 2
41 1 40 GLU O 1 61 LYS H . . 1.800 1.972 1.793 2.391 0.591 3 1 "[ + . 1 . 2]" 2
42 1 40 GLU O 1 61 LYS N . . 2.700 2.877 2.714 3.316 0.616 3 1 "[ + . 1 . 2]" 2
43 1 62 TYR H 1 71 PHE O . . 1.800 1.908 1.793 2.095 0.295 10 0 "[ . 1 . 2]" 2
44 1 62 TYR N 1 71 PHE O . . 2.700 2.799 2.728 3.026 0.326 10 0 "[ . 1 . 2]" 2
45 1 68 GLY H 1 88 GLU O . . 1.800 2.074 2.008 2.184 0.384 9 0 "[ . 1 . 2]" 2
46 1 68 GLY N 1 88 GLU O . . 2.700 2.798 2.688 2.979 0.279 1 0 "[ . 1 . 2]" 2
47 1 70 THR H 1 86 THR O . . 1.800 2.099 1.792 3.443 1.643 10 2 "[ . + - . 2]" 2
48 1 70 THR N 1 86 THR O . . 2.700 2.881 2.725 3.223 0.523 10 1 "[ . + . 2]" 2
49 1 62 TYR O 1 71 PHE H . . 1.800 2.031 1.795 2.149 0.349 15 0 "[ . 1 . 2]" 2
50 1 62 TYR O 1 71 PHE N . . 2.700 2.933 2.747 3.019 0.319 15 0 "[ . 1 . 2]" 2
51 1 72 THR H 1 84 GLU O . . 1.800 1.977 1.831 2.136 0.336 15 0 "[ . 1 . 2]" 2
52 1 72 THR N 1 84 GLU O . . 2.700 2.871 2.733 3.025 0.325 5 0 "[ . 1 . 2]" 2
53 1 60 THR O 1 73 GLU H . . 1.800 1.950 1.792 2.125 0.325 1 0 "[ . 1 . 2]" 2
54 1 60 THR O 1 73 GLU N . . 2.700 2.843 2.728 3.016 0.316 3 0 "[ . 1 . 2]" 2
55 1 74 LYS H 1 82 GLY O . . 1.800 1.968 1.798 2.183 0.383 15 0 "[ . 1 . 2]" 2
56 1 74 LYS N 1 82 GLY O . . 2.700 2.829 2.664 3.009 0.309 10 0 "[ . 1 . 2]" 2
57 1 58 LEU O 1 75 TRP H . . 1.800 1.984 1.782 2.502 0.702 14 3 "[*- . 1 +. 2]" 2
58 1 58 LEU O 1 75 TRP N . . 2.700 2.831 2.735 3.155 0.455 1 0 "[ . 1 . 2]" 2
59 1 76 ASN H 1 80 THR O . . 1.800 2.027 1.780 3.463 1.663 15 1 "[ . 1 + 2]" 2
60 1 76 ASN N 1 80 THR O . . 2.700 2.933 2.684 3.691 0.991 15 1 "[ . 1 + 2]" 2
61 1 76 ASN O 1 80 THR H . . 1.800 2.064 1.846 2.392 0.592 12 1 "[ . 1 + . 2]" 2
62 1 76 ASN O 1 80 THR N . . 2.700 2.950 2.737 3.282 0.582 12 1 "[ . 1 + . 2]" 2
63 1 81 LEU H 1 103 PHE O . . 1.800 2.089 1.793 3.400 1.600 19 1 "[ . 1 . +2]" 2
64 1 81 LEU N 1 103 PHE O . . 2.700 2.992 2.743 4.299 1.599 19 1 "[ . 1 . +2]" 2
65 1 74 LYS O 1 82 GLY H . . 1.800 2.049 1.801 2.899 1.099 15 1 "[ . 1 + 2]" 2
66 1 74 LYS O 1 82 GLY N . . 2.700 2.842 2.720 3.275 0.575 15 1 "[ . 1 + 2]" 2
67 1 83 THR H 1 101 SER O . . 1.800 2.069 1.927 2.407 0.607 19 1 "[ . 1 . +2]" 2
68 1 83 THR N 1 101 SER O . . 2.700 2.863 2.655 3.370 0.670 19 1 "[ . 1 . +2]" 2
69 1 72 THR O 1 84 GLU H . . 1.800 1.975 1.817 2.121 0.321 10 0 "[ . 1 . 2]" 2
70 1 72 THR O 1 84 GLU N . . 2.700 2.835 2.724 2.958 0.258 6 0 "[ . 1 . 2]" 2
71 1 85 ILE H 1 99 PHE O . . 1.800 2.109 1.797 3.307 1.507 20 4 "[ * 1- . * +]" 2
72 1 85 ILE N 1 99 PHE O . . 2.700 2.975 2.685 4.131 1.431 20 4 "[ * 1- . * +]" 2
73 1 70 THR O 1 86 THR H . . 1.800 2.005 1.796 2.130 0.330 10 0 "[ . 1 . 2]" 2
74 1 70 THR O 1 86 THR N . . 2.700 2.919 2.729 3.045 0.345 17 0 "[ . 1 . 2]" 2
75 1 87 VAL H 1 97 LEU O . . 1.800 1.900 1.784 2.359 0.559 20 1 "[ . 1 . +]" 2
76 1 87 VAL N 1 97 LEU O . . 2.700 2.776 2.698 3.331 0.631 20 1 "[ . 1 . +]" 2
77 1 68 GLY O 1 88 GLU H . . 1.800 2.079 1.861 2.769 0.969 12 2 "[ . - + . 2]" 2
78 1 68 GLY O 1 88 GLU N . . 2.700 2.920 2.712 3.656 0.956 12 2 "[ . - + . 2]" 2
79 1 96 LYS H 1 117 GLY O . . 1.800 2.002 1.901 2.092 0.292 20 0 "[ . 1 . 2]" 2
80 1 96 LYS N 1 117 GLY O . . 2.700 2.926 2.733 3.070 0.370 20 0 "[ . 1 . 2]" 2
81 1 87 VAL O 1 97 LEU H . . 1.800 2.049 2.001 2.160 0.360 19 0 "[ . 1 . 2]" 2
82 1 87 VAL O 1 97 LEU N . . 2.700 2.975 2.733 3.094 0.394 19 0 "[ . 1 . 2]" 2
83 1 98 THR H 1 115 LYS O . . 1.800 1.976 1.836 2.094 0.294 17 0 "[ . 1 . 2]" 2
84 1 98 THR N 1 115 LYS O . . 2.700 2.823 2.717 2.972 0.272 18 0 "[ . 1 . 2]" 2
85 1 85 ILE O 1 99 PHE H . . 1.800 2.029 1.802 3.325 1.525 20 1 "[ . 1 . +]" 2
86 1 85 ILE O 1 99 PHE N . . 2.700 2.822 2.723 3.019 0.319 5 0 "[ . 1 . 2]" 2
87 1 100 ASP H 1 113 LYS O . . 1.800 2.003 1.825 2.427 0.627 20 1 "[ . 1 . +]" 2
88 1 100 ASP N 1 113 LYS O . . 2.700 2.882 2.688 3.221 0.521 20 1 "[ . 1 . +]" 2
89 1 83 THR O 1 101 SER H . . 1.800 2.048 1.805 2.990 1.190 18 3 "[ * 1- . + 2]" 2
90 1 83 THR O 1 101 SER N . . 2.700 2.894 2.708 3.422 0.722 18 1 "[ . 1 . + 2]" 2
91 1 102 SER H 1 111 ASN O . . 1.800 2.002 1.842 2.165 0.365 19 0 "[ . 1 . 2]" 2
92 1 102 SER N 1 111 ASN O . . 2.700 2.888 2.729 3.038 0.338 19 0 "[ . 1 . 2]" 2
93 1 81 LEU O 1 103 PHE H . . 1.800 2.002 1.791 3.338 1.538 19 1 "[ . 1 . +2]" 2
94 1 81 LEU O 1 103 PHE N . . 2.700 2.823 2.652 3.049 0.349 15 0 "[ . 1 . 2]" 2
95 1 104 SER H 1 109 LYS O . . 1.800 2.094 1.963 2.797 0.997 6 2 "[ .+ 1 . - 2]" 2
96 1 104 SER N 1 109 LYS O . . 2.700 2.933 2.742 3.517 0.817 6 1 "[ .+ 1 . 2]" 2
97 1 102 SER O 1 111 ASN H . . 1.800 2.059 1.792 3.239 1.439 6 2 "[ .+ 1 . - 2]" 2
98 1 102 SER O 1 111 ASN N . . 2.700 2.912 2.752 3.480 0.780 17 1 "[ . 1 . + 2]" 2
99 1 100 ASP O 1 113 LYS H . . 1.800 1.975 1.800 2.162 0.362 19 0 "[ . 1 . 2]" 2
100 1 100 ASP O 1 113 LYS N . . 2.700 2.869 2.680 2.978 0.278 5 0 "[ . 1 . 2]" 2
101 1 114 ILE H 1 129 MET O . . 1.800 1.949 1.788 2.122 0.322 20 0 "[ . 1 . 2]" 2
102 1 114 ILE N 1 129 MET O . . 2.700 2.873 2.711 2.989 0.289 3 0 "[ . 1 . 2]" 2
103 1 98 THR O 1 115 LYS H . . 1.800 1.863 1.762 2.580 0.780 20 1 "[ . 1 . +]" 2
104 1 98 THR O 1 115 LYS N . . 2.700 2.817 2.730 3.500 0.800 20 1 "[ . 1 . +]" 2
105 1 116 THR H 1 127 CYS O . . 1.800 1.883 1.791 2.017 0.217 16 0 "[ . 1 . 2]" 2
106 1 116 THR N 1 127 CYS O . . 2.700 2.772 2.709 2.973 0.273 16 0 "[ . 1 . 2]" 2
107 1 96 LYS O 1 117 GLY H . . 1.800 1.983 1.796 2.134 0.334 20 0 "[ . 1 . 2]" 2
108 1 96 LYS O 1 117 GLY N . . 2.700 2.911 2.746 3.066 0.366 20 0 "[ . 1 . 2]" 2
109 1 118 TYR H 1 125 LEU O . . 1.800 1.904 1.795 2.031 0.231 20 0 "[ . 1 . 2]" 2
110 1 118 TYR N 1 125 LEU O . . 2.700 2.812 2.733 2.952 0.252 18 0 "[ . 1 . 2]" 2
111 1 124 ASN H 1 143 VAL O . . 1.800 2.015 1.831 2.240 0.440 20 0 "[ . 1 . 2]" 2
112 1 124 ASN N 1 143 VAL O . . 2.700 2.908 2.740 3.185 0.485 20 0 "[ . 1 . 2]" 2
113 1 118 TYR O 1 125 LEU H . . 1.800 2.027 1.861 2.821 1.021 16 1 "[ . 1 .+ 2]" 2
114 1 118 TYR O 1 125 LEU N . . 2.700 2.950 2.747 3.540 0.840 16 1 "[ . 1 .+ 2]" 2
115 1 126 GLY H 1 141 ALA O . . 1.800 1.922 1.800 2.050 0.250 9 0 "[ . 1 . 2]" 2
116 1 126 GLY N 1 141 ALA O . . 2.700 2.757 2.682 2.872 0.172 7 0 "[ . 1 . 2]" 2
117 1 116 THR O 1 127 CYS H . . 1.800 2.021 1.928 2.113 0.313 16 0 "[ . 1 . 2]" 2
118 1 116 THR O 1 127 CYS N . . 2.700 2.826 2.736 2.979 0.279 18 0 "[ . 1 . 2]" 2
119 1 128 ASP H 1 139 ARG O . . 1.800 1.962 1.801 2.094 0.294 20 0 "[ . 1 . 2]" 2
120 1 128 ASP N 1 139 ARG O . . 2.700 2.846 2.692 2.994 0.294 9 0 "[ . 1 . 2]" 2
121 1 114 ILE O 1 129 MET H . . 1.800 1.963 1.788 2.088 0.288 17 0 "[ . 1 . 2]" 2
122 1 114 ILE O 1 129 MET N . . 2.700 2.866 2.736 3.033 0.333 17 0 "[ . 1 . 2]" 2
123 1 130 ASP H 1 137 SER O . . 1.800 1.978 1.781 2.814 1.014 17 1 "[ . 1 . + 2]" 2
124 1 130 ASP N 1 137 SER O . . 2.700 2.886 2.709 3.273 0.573 17 1 "[ . 1 . + 2]" 2
125 1 112 ALA O 1 131 PHE H . . 1.800 2.002 1.848 2.071 0.271 17 0 "[ . 1 . 2]" 2
126 1 112 ALA O 1 131 PHE N . . 2.700 2.881 2.740 3.041 0.341 17 0 "[ . 1 . 2]" 2
127 1 130 ASP O 1 137 SER H . . 1.800 2.008 1.785 2.265 0.465 14 0 "[ . 1 . 2]" 2
128 1 130 ASP O 1 137 SER N . . 2.700 2.933 2.731 3.113 0.413 1 0 "[ . 1 . 2]" 2
129 1 138 ILE H 1 157 PHE O . . 1.800 2.193 1.999 3.295 1.495 9 2 "[ . +1 . - 2]" 2
130 1 138 ILE N 1 157 PHE O . . 2.700 3.082 2.845 4.211 1.511 18 2 "[ . -1 . + 2]" 2
131 1 128 ASP O 1 139 ARG H . . 1.800 1.957 1.794 2.826 1.026 17 1 "[ . 1 . + 2]" 2
132 1 128 ASP O 1 139 ARG N . . 2.700 2.787 2.713 3.577 0.877 17 1 "[ . 1 . + 2]" 2
133 1 140 GLY H 1 155 MET O . . 1.800 2.113 1.847 2.654 0.854 20 4 "[ . *1* . - +]" 2
134 1 140 GLY N 1 155 MET O . . 2.700 2.950 2.746 3.356 0.656 20 4 "[ . *1* . - +]" 2
135 1 126 GLY O 1 141 ALA H . . 1.800 2.017 1.814 2.187 0.387 20 0 "[ . 1 . 2]" 2
136 1 126 GLY O 1 141 ALA N . . 2.700 2.905 2.743 3.037 0.337 20 0 "[ . 1 . 2]" 2
137 1 142 LEU H 1 153 TYR O . . 1.800 1.992 1.798 2.860 1.060 19 1 "[ . 1 . +2]" 2
138 1 142 LEU N 1 153 TYR O . . 2.700 2.878 2.718 3.577 0.877 19 1 "[ . 1 . +2]" 2
139 1 124 ASN O 1 143 VAL H . . 1.800 1.943 1.779 2.046 0.246 2 0 "[ . 1 . 2]" 2
140 1 124 ASN O 1 143 VAL N . . 2.700 2.857 2.673 2.977 0.277 18 0 "[ . 1 . 2]" 2
141 1 144 LEU H 1 151 ALA O . . 1.800 1.897 1.784 2.038 0.238 6 0 "[ . 1 . 2]" 2
142 1 144 LEU N 1 151 ALA O . . 2.700 2.800 2.695 3.013 0.313 6 0 "[ . 1 . 2]" 2
143 1 150 LEU H 1 172 GLY O . . 1.800 1.951 1.797 2.114 0.314 14 0 "[ . 1 . 2]" 2
144 1 150 LEU N 1 172 GLY O . . 2.700 2.827 2.716 3.043 0.343 8 0 "[ . 1 . 2]" 2
145 1 144 LEU O 1 151 ALA H . . 1.800 1.972 1.790 2.063 0.263 18 0 "[ . 1 . 2]" 2
146 1 144 LEU O 1 151 ALA N . . 2.700 2.897 2.657 3.012 0.312 2 0 "[ . 1 . 2]" 2
147 1 152 GLY H 1 170 ALA O . . 1.800 1.965 1.794 2.078 0.278 13 0 "[ . 1 . 2]" 2
148 1 152 GLY N 1 170 ALA O . . 2.700 2.785 2.696 2.916 0.216 7 0 "[ . 1 . 2]" 2
149 1 142 LEU O 1 153 TYR H . . 1.800 1.950 1.794 2.070 0.270 18 0 "[ . 1 . 2]" 2
150 1 142 LEU O 1 153 TYR N . . 2.700 2.844 2.733 3.016 0.316 11 0 "[ . 1 . 2]" 2
151 1 154 GLN H 1 168 ASN O . . 1.800 1.937 1.799 2.146 0.346 20 0 "[ . 1 . 2]" 2
152 1 154 GLN N 1 168 ASN O . . 2.700 2.871 2.729 3.104 0.404 20 0 "[ . 1 . 2]" 2
153 1 140 GLY O 1 155 MET H . . 1.800 2.050 1.899 2.826 1.026 19 1 "[ . 1 . +2]" 2
154 1 140 GLY O 1 155 MET N . . 2.700 2.939 2.734 3.336 0.636 19 1 "[ . 1 . +2]" 2
155 1 138 ILE O 1 157 PHE H . . 1.800 2.127 1.782 3.266 1.466 18 4 "[ . *1* . + -]" 2
156 1 138 ILE O 1 157 PHE N . . 2.700 2.791 2.610 3.298 0.598 11 2 "[ . 1+ . -]" 2
157 1 154 GLN O 1 168 ASN H . . 1.800 2.015 1.875 2.139 0.339 20 0 "[ . 1 . 2]" 2
158 1 154 GLN O 1 168 ASN N . . 2.700 2.894 2.728 3.005 0.305 13 0 "[ . 1 . 2]" 2
159 1 169 PHE H 1 184 VAL O . . 1.800 2.012 1.845 2.084 0.284 19 0 "[ . 1 . 2]" 2
160 1 169 PHE N 1 184 VAL O . . 2.700 2.924 2.739 3.023 0.323 19 0 "[ . 1 . 2]" 2
161 1 152 GLY O 1 170 ALA H . . 1.800 1.955 1.787 2.062 0.262 13 0 "[ . 1 . 2]" 2
162 1 152 GLY O 1 170 ALA N . . 2.700 2.780 2.684 2.974 0.274 18 0 "[ . 1 . 2]" 2
163 1 171 VAL H 1 182 THR O . . 1.800 1.938 1.792 2.115 0.315 7 0 "[ . 1 . 2]" 2
164 1 171 VAL N 1 182 THR O . . 2.700 2.855 2.724 2.999 0.299 7 0 "[ . 1 . 2]" 2
165 1 150 LEU O 1 172 GLY H . . 1.800 1.942 1.803 2.055 0.255 13 0 "[ . 1 . 2]" 2
166 1 150 LEU O 1 172 GLY N . . 2.700 2.868 2.754 3.003 0.303 1 0 "[ . 1 . 2]" 2
167 1 173 TYR H 1 180 LEU O . . 1.800 1.939 1.791 2.103 0.303 6 0 "[ . 1 . 2]" 2
168 1 173 TYR N 1 180 LEU O . . 2.700 2.812 2.702 2.959 0.259 10 0 "[ . 1 . 2]" 2
169 1 179 GLN H 1 195 TYR O . . 1.800 1.997 1.827 2.122 0.322 8 0 "[ . 1 . 2]" 2
170 1 179 GLN N 1 195 TYR O . . 2.700 2.894 2.735 3.018 0.318 8 0 "[ . 1 . 2]" 2
171 1 173 TYR O 1 180 LEU H . . 1.800 2.057 1.804 2.869 1.069 6 4 "[ .+ * 1 -*. 2]" 2
172 1 173 TYR O 1 180 LEU N . . 2.700 2.924 2.733 3.587 0.887 6 3 "[ .+ - 1 * . 2]" 2
173 1 181 HIS H 1 193 SER O . . 1.800 1.929 1.794 2.073 0.273 6 0 "[ . 1 . 2]" 2
174 1 181 HIS N 1 193 SER O . . 2.700 2.840 2.716 3.038 0.338 8 0 "[ . 1 . 2]" 2
175 1 171 VAL O 1 182 THR H . . 1.800 1.934 1.776 2.123 0.323 8 0 "[ . 1 . 2]" 2
176 1 171 VAL O 1 182 THR N . . 2.700 2.792 2.732 2.978 0.278 12 0 "[ . 1 . 2]" 2
177 1 183 ASN H 1 191 GLY O . . 1.800 1.926 1.760 2.083 0.283 13 0 "[ . 1 . 2]" 2
178 1 183 ASN N 1 191 GLY O . . 2.700 2.835 2.543 2.978 0.278 10 0 "[ . 1 . 2]" 2
179 1 169 PHE O 1 184 VAL H . . 1.800 1.887 1.782 2.037 0.237 7 0 "[ . 1 . 2]" 2
180 1 169 PHE O 1 184 VAL N . . 2.700 2.782 2.730 2.909 0.209 1 0 "[ . 1 . 2]" 2
181 1 190 PHE H 1 210 TRP O . . 1.800 2.100 1.965 3.416 1.616 7 1 "[ . + 1 . 2]" 2
182 1 190 PHE N 1 210 TRP O . . 2.700 2.780 2.700 3.053 0.353 7 0 "[ . 1 . 2]" 2
183 1 183 ASN O 1 191 GLY H . . 1.800 2.044 1.798 2.662 0.862 7 2 "[ . + 1- . 2]" 2
184 1 183 ASN O 1 191 GLY N . . 2.700 2.884 2.700 3.222 0.522 7 1 "[ . + 1 . 2]" 2
185 1 192 GLY H 1 208 LEU O . . 1.800 2.014 1.878 2.221 0.421 7 0 "[ . 1 . 2]" 2
186 1 192 GLY N 1 208 LEU O . . 2.700 2.893 2.749 3.025 0.325 4 0 "[ . 1 . 2]" 2
187 1 181 HIS O 1 193 SER H . . 1.800 1.957 1.780 2.056 0.256 5 0 "[ . 1 . 2]" 2
188 1 181 HIS O 1 193 SER N . . 2.700 2.785 2.693 2.994 0.294 5 0 "[ . 1 . 2]" 2
189 1 194 ILE H 1 206 VAL O . . 1.800 1.889 1.780 2.064 0.264 9 0 "[ . 1 . 2]" 2
190 1 194 ILE N 1 206 VAL O . . 2.700 2.802 2.645 3.018 0.318 17 0 "[ . 1 . 2]" 2
191 1 179 GLN O 1 195 TYR H . . 1.800 1.978 1.834 2.165 0.365 4 0 "[ . 1 . 2]" 2
192 1 179 GLN O 1 195 TYR N . . 2.700 2.888 2.731 3.108 0.408 4 0 "[ . 1 . 2]" 2
193 1 196 GLN H 1 204 THR O . . 1.800 2.012 1.832 2.876 1.076 4 1 "[ +. 1 . 2]" 2
194 1 196 GLN N 1 204 THR O . . 2.700 2.881 2.735 3.245 0.545 4 1 "[ +. 1 . 2]" 2
195 1 203 GLU H 1 224 LYS O . . 1.800 2.002 1.793 2.154 0.354 8 0 "[ . 1 . 2]" 2
196 1 203 GLU N 1 224 LYS O . . 2.700 2.907 2.733 3.047 0.347 5 0 "[ . 1 . 2]" 2
197 1 196 GLN O 1 204 THR H . . 1.800 2.014 1.844 2.156 0.356 4 0 "[ . 1 . 2]" 2
198 1 196 GLN O 1 204 THR N . . 2.700 2.898 2.743 3.129 0.429 4 0 "[ . 1 . 2]" 2
199 1 205 ALA H 1 222 ALA O . . 1.800 1.970 1.797 2.037 0.237 7 0 "[ . 1 . 2]" 2
200 1 205 ALA N 1 222 ALA O . . 2.700 2.853 2.732 3.004 0.304 4 0 "[ . 1 . 2]" 2
201 1 194 ILE O 1 206 VAL H . . 1.800 1.976 1.801 2.847 1.047 4 1 "[ +. 1 . 2]" 2
202 1 194 ILE O 1 206 VAL N . . 2.700 2.913 2.673 3.754 1.054 4 1 "[ +. 1 . 2]" 2
203 1 207 ASN H 1 220 GLY O . . 1.800 1.980 1.796 2.092 0.292 7 0 "[ . 1 . 2]" 2
204 1 207 ASN N 1 220 GLY O . . 2.700 2.900 2.707 2.986 0.286 9 0 "[ . 1 . 2]" 2
205 1 192 GLY O 1 208 LEU H . . 1.800 1.929 1.792 2.126 0.326 7 0 "[ . 1 . 2]" 2
206 1 192 GLY O 1 208 LEU N . . 2.700 2.828 2.683 3.063 0.363 7 0 "[ . 1 . 2]" 2
207 1 209 ALA H 1 218 ARG O . . 1.800 2.000 1.811 2.467 0.667 4 1 "[ +. 1 . 2]" 2
208 1 209 ALA N 1 218 ARG O . . 2.700 2.865 2.739 3.204 0.504 11 1 "[ . 1+ . 2]" 2
209 1 190 PHE O 1 210 TRP H . . 1.800 1.960 1.799 3.172 1.372 7 1 "[ . + 1 . 2]" 2
210 1 190 PHE O 1 210 TRP N . . 2.700 2.833 2.719 4.066 1.366 7 1 "[ . + 1 . 2]" 2
211 1 209 ALA O 1 218 ARG H . . 1.800 2.015 1.796 2.338 0.538 11 2 "[ . - 1+ . 2]" 2
212 1 209 ALA O 1 218 ARG N . . 2.700 2.923 2.618 3.104 0.404 7 0 "[ . 1 . 2]" 2
213 1 207 ASN O 1 220 GLY H . . 1.800 1.999 1.797 2.450 0.650 4 1 "[ +. 1 . 2]" 2
214 1 207 ASN O 1 220 GLY N . . 2.700 2.868 2.667 3.175 0.475 4 0 "[ . 1 . 2]" 2
215 1 221 ILE H 1 237 VAL O . . 1.800 1.908 1.774 2.101 0.301 4 0 "[ . 1 . 2]" 2
216 1 221 ILE N 1 237 VAL O . . 2.700 2.760 2.680 2.949 0.249 4 0 "[ . 1 . 2]" 2
217 1 205 ALA O 1 222 ALA H . . 1.800 1.915 1.783 2.097 0.297 11 0 "[ . 1 . 2]" 2
218 1 205 ALA O 1 222 ALA N . . 2.700 2.832 2.739 2.971 0.271 9 0 "[ . 1 . 2]" 2
219 1 223 ALA H 1 235 ALA O . . 1.800 1.961 1.804 2.176 0.376 13 0 "[ . 1 . 2]" 2
220 1 223 ALA N 1 235 ALA O . . 2.700 2.893 2.719 3.049 0.349 13 0 "[ . 1 . 2]" 2
221 1 203 GLU O 1 224 LYS H . . 1.800 1.981 1.800 2.113 0.313 11 0 "[ . 1 . 2]" 2
222 1 203 GLU O 1 224 LYS N . . 2.700 2.884 2.736 3.037 0.337 11 0 "[ . 1 . 2]" 2
223 1 225 TYR H 1 233 PHE O . . 1.800 1.917 1.799 2.065 0.265 5 0 "[ . 1 . 2]" 2
224 1 225 TYR N 1 233 PHE O . . 2.700 2.817 2.701 3.032 0.332 5 0 "[ . 1 . 2]" 2
225 1 232 CYS H 1 248 THR O . . 1.800 1.988 1.819 2.224 0.424 8 0 "[ . 1 . 2]" 2
226 1 232 CYS N 1 248 THR O . . 2.700 2.854 2.585 3.046 0.346 9 0 "[ . 1 . 2]" 2
227 1 225 TYR O 1 233 PHE H . . 1.800 2.025 1.818 2.380 0.580 13 1 "[ . 1 + . 2]" 2
228 1 225 TYR O 1 233 PHE N . . 2.700 2.907 2.733 3.334 0.634 13 1 "[ . 1 + . 2]" 2
229 1 234 SER H 1 246 GLY O . . 1.800 2.197 1.869 3.378 1.578 14 5 "[ - * 1 *+.* 2]" 2
230 1 234 SER N 1 246 GLY O . . 2.700 2.994 2.723 3.406 0.706 14 5 "[ - * 1 *+.* 2]" 2
231 1 223 ALA O 1 235 ALA H . . 1.800 1.937 1.775 2.041 0.241 8 0 "[ . 1 . 2]" 2
232 1 223 ALA O 1 235 ALA N . . 2.700 2.839 2.682 2.986 0.286 12 0 "[ . 1 . 2]" 2
233 1 236 LYS H 1 244 GLY O . . 1.800 1.988 1.799 2.639 0.839 12 1 "[ . 1 + . 2]" 2
234 1 236 LYS N 1 244 GLY O . . 2.700 2.854 2.704 3.334 0.634 12 1 "[ . 1 + . 2]" 2
235 1 221 ILE O 1 237 VAL H . . 1.800 1.988 1.821 2.145 0.345 14 0 "[ . 1 . 2]" 2
236 1 221 ILE O 1 237 VAL N . . 2.700 2.879 2.745 3.053 0.353 16 0 "[ . 1 . 2]" 2
237 1 238 ASN H 1 242 LEU O . . 1.800 2.042 1.789 2.192 0.392 16 0 "[ . 1 . 2]" 2
238 1 238 ASN N 1 242 LEU O . . 2.700 2.963 2.737 3.119 0.419 12 0 "[ . 1 . 2]" 2
239 1 219 PHE O 1 239 ASN H . . 1.800 2.036 1.839 2.213 0.413 11 0 "[ . 1 . 2]" 2
240 1 219 PHE O 1 239 ASN N . . 2.700 2.790 2.712 2.999 0.299 8 0 "[ . 1 . 2]" 2
241 1 243 ILE H 1 263 LEU O . . 1.800 2.045 1.894 2.202 0.402 7 0 "[ . 1 . 2]" 2
242 1 243 ILE N 1 263 LEU O . . 2.700 2.908 2.696 3.116 0.416 7 0 "[ . 1 . 2]" 2
243 1 236 LYS O 1 244 GLY H . . 1.800 1.923 1.743 2.131 0.331 12 0 "[ . 1 . 2]" 2
244 1 236 LYS O 1 244 GLY N . . 2.700 2.727 2.635 2.901 0.201 12 0 "[ . 1 . 2]" 2
245 1 245 LEU H 1 261 ALA O . . 1.800 1.970 1.795 2.060 0.260 12 0 "[ . 1 . 2]" 2
246 1 245 LEU N 1 261 ALA O . . 2.700 2.871 2.612 3.018 0.318 12 0 "[ . 1 . 2]" 2
247 1 234 SER O 1 246 GLY H . . 1.800 2.034 1.790 3.083 1.283 12 1 "[ . 1 + . 2]" 2
248 1 234 SER O 1 246 GLY N . . 2.700 2.832 2.665 3.354 0.654 12 1 "[ . 1 + . 2]" 2
249 1 247 TYR H 1 259 LEU O . . 1.800 2.134 1.778 3.423 1.623 5 2 "[ + 1 .- 2]" 2
250 1 247 TYR N 1 259 LEU O . . 2.700 2.810 2.696 2.963 0.263 20 0 "[ . 1 . 2]" 2
251 1 232 CYS O 1 248 THR H . . 1.800 2.185 1.842 3.339 1.539 8 5 "[ - + 1 **.* 2]" 2
252 1 232 CYS O 1 248 THR N . . 2.700 2.994 2.738 3.422 0.722 14 5 "[ - * 1 *+.* 2]" 2
253 1 249 GLN H 1 257 LEU O . . 1.800 2.010 1.860 2.257 0.457 16 0 "[ . 1 . 2]" 2
254 1 249 GLN N 1 257 LEU O . . 2.700 2.863 2.698 2.988 0.288 4 0 "[ . 1 . 2]" 2
255 1 249 GLN O 1 257 LEU H . . 1.800 1.981 1.788 2.562 0.762 9 1 "[ . +1 . 2]" 2
256 1 249 GLN O 1 257 LEU N . . 2.700 2.870 2.743 3.029 0.329 10 0 "[ . 1 . 2]" 2
257 1 258 THR H 1 278 GLY O . . 1.800 2.010 1.867 2.057 0.257 12 0 "[ . 1 . 2]" 2
258 1 258 THR N 1 278 GLY O . . 2.700 2.926 2.743 2.983 0.283 20 0 "[ . 1 . 2]" 2
259 1 247 TYR O 1 259 LEU H . . 1.800 2.123 1.894 3.235 1.435 16 2 "[ - 1 .+ 2]" 2
260 1 247 TYR O 1 259 LEU N . . 2.700 2.975 2.740 4.086 1.386 16 2 "[ - 1 .+ 2]" 2
261 1 260 SER H 1 276 GLY O . . 1.800 1.988 1.795 2.080 0.280 5 0 "[ . 1 . 2]" 2
262 1 260 SER N 1 276 GLY O . . 2.700 2.899 2.741 3.014 0.314 17 0 "[ . 1 . 2]" 2
263 1 245 LEU O 1 261 ALA H . . 1.800 2.002 1.785 2.499 0.699 16 2 "[ - 1 .+ 2]" 2
264 1 245 LEU O 1 261 ALA N . . 2.700 2.898 2.722 3.419 0.719 16 2 "[ - 1 .+ 2]" 2
265 1 262 LEU H 1 274 LYS O . . 1.800 1.855 1.790 2.010 0.210 8 0 "[ . 1 . 2]" 2
266 1 262 LEU N 1 274 LYS O . . 2.700 2.766 2.711 2.874 0.174 17 0 "[ . 1 . 2]" 2
267 1 243 ILE O 1 263 LEU H . . 1.800 1.919 1.774 2.026 0.226 17 0 "[ . 1 . 2]" 2
268 1 243 ILE O 1 263 LEU N . . 2.700 2.800 2.657 2.981 0.281 3 0 "[ . 1 . 2]" 2
269 1 262 LEU O 1 274 LYS H . . 1.800 2.095 2.024 2.331 0.531 5 2 "[ + 1 - . 2]" 2
270 1 262 LEU O 1 274 LYS N . . 2.700 3.000 2.878 3.195 0.495 5 0 "[ . 1 . 2]" 2
271 1 260 SER O 1 276 GLY H . . 1.800 1.909 1.794 2.035 0.235 11 0 "[ . 1 . 2]" 2
272 1 260 SER O 1 276 GLY N . . 2.700 2.805 2.685 3.009 0.309 11 0 "[ . 1 . 2]" 2
273 1 26 LEU O 1 277 LEU H . . 1.800 1.990 1.771 2.249 0.449 17 0 "[ . 1 . 2]" 2
274 1 26 LEU O 1 277 LEU N . . 2.700 2.915 2.727 3.218 0.518 17 1 "[ . 1 . + 2]" 2
275 1 258 THR O 1 278 GLY H . . 1.800 1.918 1.791 2.077 0.277 12 0 "[ . 1 . 2]" 2
276 1 258 THR O 1 278 GLY N . . 2.700 2.795 2.689 3.004 0.304 5 0 "[ . 1 . 2]" 2
277 1 28 LYS O 1 279 LEU H . . 1.800 1.938 1.781 2.143 0.343 11 0 "[ . 1 . 2]" 2
278 1 28 LYS O 1 279 LEU N . . 2.700 2.877 2.728 3.008 0.308 11 0 "[ . 1 . 2]" 2
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